Geometry & MOs

Info

ID:	260229
PubChem CID:	103185398
Reduced:	ClO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	20.16
Dipole, Da:	3.81
IP(EA), eV:	-8.55(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-4-nitropyridin-2-yl)methyl]pentan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NCC2=NC=C(C(=C2C)[N+](=O)[O-])C

DOS

IR

Vibrations