Geometry & MOs

Info

ID:	431714
PubChem CID:	135171810
Reduced:	NOC17H33 (1)
Stoich.:	ABC17D33 (1)
Weight, g/mol:	471.265255
ΔH_f, kcal/mol:	-79.43
Dipole, Da:	1.38
IP(EA), eV:	-8.22(2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-[(5-chloropyridin-2-yl)amino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CCC1CCC1N(CC(C)C)C2CCC(CC2)OC

DOS

IR

Vibrations