Geometry & MOs

Info

ID:	196123
PubChem CID:	78785316
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	309.132471
ΔH_f, kcal/mol:	-117.12
Dipole, Da:	6.15
IP(EA), eV:	-8.85(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(4-amino-3-nitrobenzoyl)amino]hexanoate

Drug info:

PubChemData

Smile

CC(C(=O)NCC(C1=CC=CC=C1OC)N(C)C)NC(=O)C

DOS

IR

Vibrations