Geometry & MOs

Info

ID:	435498
PubChem CID:	135191625
Reduced:	N3C24H31 (1)
Stoich.:	A3B24C31 (1)
Weight, g/mol:	356.174945
ΔH_f, kcal/mol:	57.87
Dipole, Da:	2.36
IP(EA), eV:	-7.71(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5,7-trimethyl-2-(2-phenyl-3H-benzimidazol-5-yl)-2H-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC/C=C/C1=C(C/C(=C\C2=CNC3=C2C=CC=N3)/C1=CCC)NC(C)CC

DOS

IR

Vibrations