Geometry & MOs

Info

ID:	67166
PubChem CID:	46505993
Reduced:	N2O2C31H46 (1)
Stoich.:	A2B2C31D46 (1)
Weight, g/mol:	398.256943
ΔH_f, kcal/mol:	-148.02
Dipole, Da:	1.49
IP(EA), eV:	-9.53(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-hexylcyclohexanecarbonyl)amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)C(CC(C)C)NC(=O)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations