Geometry & MOs

Info

ID:	252152
PubChem CID:	103109442
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-76.35
Dipole, Da:	3.51
IP(EA), eV:	-9.59(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2COCCN2

DOS

IR

Vibrations