Geometry & MOs

Info

ID:	252907
PubChem CID:	103114878
Reduced:	O3N4C12H14 (1)
Stoich.:	A3B4C12D14 (1)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	0.58
Dipole, Da:	7.07
IP(EA), eV:	-10.08(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-3-nitrophenyl)methylamino]-N-prop-2-enylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations