Geometry & MOs

Info

ID:	71970
PubChem CID:	48415670
Reduced:	ON6C23H26 (1)
Stoich.:	AB6C23D26 (1)
Weight, g/mol:	399.20591
ΔH_f, kcal/mol:	61.75
Dipole, Da:	4.62
IP(EA), eV:	-9.04(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)N(C)CCCC3=NC4=CC=CC=C4N3)C)C

DOS

IR

Vibrations