Geometry & MOs

Info

ID:	72053
PubChem CID:	48415760
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	404.196074
ΔH_f, kcal/mol:	-70.6
Dipole, Da:	6.05
IP(EA), eV:	-8.91(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[3-(1H-benzimidazol-2-yl)propyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC(=CC=C3)NC(=O)C4CCCO4

DOS

IR

Vibrations