Geometry & MOs

Info

ID:	426665
PubChem CID:	135153230
Reduced:	N2O5C19H28 (1)
Stoich.:	A2B5C19D28 (1)
Weight, g/mol:	362.256943
ΔH_f, kcal/mol:	-146.7
Dipole, Da:	2.04
IP(EA), eV:	-8.72(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[3-amino-4-[(4-methoxycyclohexyl)-(2-methylpropyl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations