Geometry & MOs

Info

ID:	446179
PubChem CID:	135272980
Reduced:	O2N7H25C30 (1)
Stoich.:	A2B7C25D30 (1)
Weight, g/mol:	368.149793
ΔH_f, kcal/mol:	117.03
Dipole, Da:	8.58
IP(EA), eV:	-8.92(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-amino-6-[1-[(5-methylpyridin-2-yl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile

Drug info:

PubChemData

Smile

CCC1=NC(=CC=C1)CN2C=C(N=N2)C3=CC(=NC(=C3)NC(=O)COC4=CC=CC=C4)C5=CC=CC(=C5)C#N

DOS

IR

Vibrations