Geometry & MOs

Info

ID:	252851
PubChem CID:	103114584
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	-17.0
Dipole, Da:	6.43
IP(EA), eV:	-9.18(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methyl-3-nitrophenyl)methylamino]pentanoic acid

Drug info:

PubChemData

Smile

CC1CCCC(CC1)NCC2=C(C(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations