Geometry & MOs

Info

ID:	271643
PubChem CID:	103687077
Reduced:	O2N5C10H15 (1)
Stoich.:	A2B5C10D15 (1)
Weight, g/mol:	233.080041
ΔH_f, kcal/mol:	-46.77
Dipole, Da:	3.35
IP(EA), eV:	-9.59(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(2-methyl-5-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)CN(C)C(=O)[C@H]2CCC(=O)N2

DOS

IR

Vibrations