Geometry & MOs

Info

ID:

220702

PubChem CID:

85230117

Reduced:

N13O17C71H129 (1)

Stoich.:

A13B17C71D129 (1)

Weight, g/mol:

206.13068

ΔHf, kcal/mol:

-929.43

Dipole, Da:

5.47

IP(EA), eV:

 -9.46(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-methoxy-4-(5-methoxypent-4-enyl)benzene

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N(C)C(C(C)CC)C(=O)N(C)C(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)OC)NC(=O)CCNC(=O)C(C(C)CC)N(C)C(=O)C(C(C)C)NC(=O)CCN(C)C(=O)C(C(C)O)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)OC

DOS

IR

Vibrations