Geometry & MOs

Info

ID:	252908
PubChem CID:	103114879
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-21.47
Dipole, Da:	6.26
IP(EA), eV:	-9.81(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2-[(2-methyl-3-nitrophenyl)methylamino]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations