Geometry & MOs

Info

ID:	199693
PubChem CID:	79283039
Reduced:	ON2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	280.143645
ΔH_f, kcal/mol:	9.0
Dipole, Da:	1.8
IP(EA), eV:	-9.85(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-amino-1-ethyl-3-methylimidazo[4,5-c]pyrazol-6-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)CN(CC#C)CC(=O)O

DOS

IR

Vibrations