Geometry & MOs

Info

ID:	323845
PubChem CID:	126676311
Reduced:	FN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	425.265157
ΔH_f, kcal/mol:	-98.39
Dipole, Da:	4.32
IP(EA), eV:	-9.17(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(3,6-diamino-2-hydrazinylpyridin-4-yl)methyl]-1,5-dihydropyrazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CN(C(=O)C(=C1)C(=O)NC)CC2=CC=CC=C2F

DOS

IR

Vibrations