Geometry & MOs

Info

ID:	281238
PubChem CID:	103911572
Reduced:	O2N6C11H16 (1)
Stoich.:	A2B6C11D16 (1)
Weight, g/mol:	281.067952
ΔH_f, kcal/mol:	53.21
Dipole, Da:	11.24
IP(EA), eV:	-9.28(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(3-imidazol-1-ylpropyl)-4-nitropyridin-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=C(N1C)NCCCN2C=CN=C2)[N+](=O)[O-]

DOS

IR

Vibrations