Geometry & MOs

Info

ID:

437105

PubChem CID:

135214881

Reduced:

N9O9C52H95 (1)

Stoich.:

A9B9C52D95 (1)

Weight, g/mol:

513.397065

ΔHf, kcal/mol:

-552.62

Dipole, Da:

9.59

IP(EA), eV:

 -9.4(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-N-[3-[4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexyl]propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCCCCCC(C(=O)NCC(=O)N(C(C)C)C(C)(C)C(=O)NCC(=O)N(C(C)C)C(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC)NC(=O)C1CCCN1C(=O)CCCCC

DOS

IR

Vibrations