Geometry & MOs

Info

ID:

150980

PubChem CID:

53790677

Reduced:

PN8O8C40H57 (1)

Stoich.:

AB8C8D40E57 (1)

Weight, g/mol:

356.184841

ΔHf, kcal/mol:

-200.04

Dipole, Da:

11.86

IP(EA), eV:

 -8.73(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[3-(5-formyl-4-methoxy-2-methylphenyl)-3-hydroxybutan-2-yl]-4,5-dimethylimidazol-2-yl]cyanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(C)(C(C)NC(=NC(C)C(C)(OC)OC)NC#N)OP)C=O)OC.CC1=CC(=C(C=C1C(C)(C(C)N2C(=C(N=C2NC#N)C)C)O)C=O)OC

DOS

IR

Vibrations