Geometry & MOs

Info

ID:	252918
PubChem CID:	103114943
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	-60.75
Dipole, Da:	5.45
IP(EA), eV:	-9.8(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-3-nitrophenyl)methylamino]propanenitrile

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)CNCC1=C(C(=CC=C1)[N+](=O)[O-])C

DOS

IR

Vibrations