Geometry & MOs

Info

ID:	343416
PubChem CID:	127266589
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	312.169859
ΔH_f, kcal/mol:	-19.63
Dipole, Da:	2.45
IP(EA), eV:	-9.35(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2OC1)NC(=O)CC3=NC=NN3

DOS

IR

Vibrations