Geometry & MOs

Info

ID:	176588
PubChem CID:	76069481
Reduced:	O3N4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	516.356323
ΔH_f, kcal/mol:	-65.73
Dipole, Da:	1.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.867206
Charge, e:	0

Chem-info

IUPAC name:

N'-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)-N'-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]butanediamide

Drug info:

PubChemData

Smile

CCC[N+]1=CN=C2C1C(=O)N(C(=O)N2C3CC3)CC(=O)C

DOS

IR

Vibrations