Geometry & MOs

Info

ID:	72302
PubChem CID:	48416022
Reduced:	O2N4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	388.201159
ΔH_f, kcal/mol:	-43.87
Dipole, Da:	7.89
IP(EA), eV:	-8.39(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-5-ethyl-N-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3CCCN(C3)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations