Geometry & MOs

Info

ID:	72235
PubChem CID:	48415954
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	362.185509
ΔH_f, kcal/mol:	28.46
Dipole, Da:	6.75
IP(EA), eV:	-8.88(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

DOS

IR

Vibrations