Geometry & MOs

Info

ID:	72310
PubChem CID:	48416031
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	377.165188
ΔH_f, kcal/mol:	-13.5
Dipole, Da:	4.83
IP(EA), eV:	-9.08(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC1C(=O)NC2=CC=CC(=C2)C(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations