Geometry & MOs

Info

ID:	324029
PubChem CID:	126676785
Reduced:	N8C17H24 (1)
Stoich.:	A8B17C24 (1)
Weight, g/mol:	330.134142
ΔH_f, kcal/mol:	110.1
Dipole, Da:	5.06
IP(EA), eV:	-9.0(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]pyrazol-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1CNCCC1CCCN2C=C(C=N2)CC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations