Geometry & MOs

Info

ID:	264494
PubChem CID:	103464477
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-48.71
Dipole, Da:	1.97
IP(EA), eV:	-8.69(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide

Drug info:

PubChemData

Smile

C[C@@H](C1CCCCC1)NC(COC)C2=CC=CC=C2

DOS

IR

Vibrations