Geometry & MOs

Info

ID:	336006
PubChem CID:	127255013
Reduced:	FSO2N5C20H24 (1)
Stoich.:	ABC2D5E20F24 (1)
Weight, g/mol:	346.154209
ΔH_f, kcal/mol:	-62.66
Dipole, Da:	2.26
IP(EA), eV:	-8.59(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=C2CSCC2=N1)NC(=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations