Geometry & MOs

Info

ID:	140628
PubChem CID:	52731920
Reduced:	O2N3C27H31 (1)
Stoich.:	A2B3C27D31 (1)
Weight, g/mol:	446.141262
ΔH_f, kcal/mol:	-45.96
Dipole, Da:	3.82
IP(EA), eV:	-7.82(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N[C@H](C(C)C)C(=O)NC2=CC=C(C=C2)N[C@@H](C)C3=CC=CC=C3

DOS

IR

Vibrations