Geometry & MOs

Info

ID:	438297
PubChem CID:	135228029
Reduced:	NF2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	401.160023
ΔH_f, kcal/mol:	-39.64
Dipole, Da:	0.88
IP(EA), eV:	-9.48(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dimethyl-3H-pyrazol-4-yl)-N-(dipyridin-2-ylmethyl)-2-nitropyridin-3-amine

Drug info:

PubChemData

Smile

CC/C=C\C=C(/C(=C)C(C)C1=C(C=CC=N1)F)\F

DOS

IR

Vibrations