Geometry & MOs

Info

ID:	260230
PubChem CID:	103185416
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	305.093104
ΔH_f, kcal/mol:	-9.3
Dipole, Da:	3.67
IP(EA), eV:	-9.35(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCNCC1=NC=C(C(=C1C)[N+](=O)[O-])C

DOS

IR

Vibrations