Geometry & MOs

Info

ID:	72260
PubChem CID:	48415980
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	-62.82
Dipole, Da:	5.86
IP(EA), eV:	-9.06(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3CCCN3C(=O)C4CCCCC4

DOS

IR

Vibrations