Geometry & MOs

Info

ID:	209579
PubChem CID:	80689364
Reduced:	NC3H4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	281.067952
ΔH_f, kcal/mol:	61.3
Dipole, Da:	2.12
IP(EA), eV:	-8.42(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-nitropyridin-2-amine

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NCCC2=CN(N=C2)C

DOS

IR

Vibrations