Geometry & MOs

Info

ID:	252738
PubChem CID:	103113666
Reduced:	N2O4C11H14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-78.7
Dipole, Da:	7.31
IP(EA), eV:	-10.06(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[(2-methyl-3-nitrophenyl)methyl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations