Geometry & MOs

Info

ID:	260233
PubChem CID:	103185469
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	305.093104
ΔH_f, kcal/mol:	23.25
Dipole, Da:	2.68
IP(EA), eV:	-8.52(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(3,5-dimethyl-4-nitropyridin-2-yl)methyl]-4-methylaniline

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NCC2=NC=C(C(=C2C)[N+](=O)[O-])C

DOS

IR

Vibrations