Geometry & MOs

Info

ID:	1440
PubChem CID:	4443
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	-151.05
Dipole, Da:	2.62
IP(EA), eV:	-9.64(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations