Geometry & MOs

Info

ID:	71964
PubChem CID:	48415664
Reduced:	O2N5C24H27 (1)
Stoich.:	A2B5C24D27 (1)
Weight, g/mol:	360.169859
ΔH_f, kcal/mol:	-18.8
Dipole, Da:	5.54
IP(EA), eV:	-8.82(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2-phenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations