Geometry & MOs

Info

ID:	432073
PubChem CID:	135172205
Reduced:	NOC32H43 (1)
Stoich.:	ABC32D43 (1)
Weight, g/mol:	483.309707
ΔH_f, kcal/mol:	30.42
Dipole, Da:	0.86
IP(EA), eV:	-7.91(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4-methoxycyclohexyl)-(2-methylpropyl)amino]-3-[[5-(methoxymethyl)pyridin-2-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2C3C=CC(=CC3OC4=C2C=CC(=C4)C(C)(C)CC)C(C)(C)CC

DOS

IR

Vibrations