Geometry & MOs

Info

ID:	173580
PubChem CID:	75656903
Reduced:	ClN4O4C22H27 (1)
Stoich.:	AB4C4D22E27 (1)
Weight, g/mol:	383.06332
ΔH_f, kcal/mol:	-140.38
Dipole, Da:	5.11
IP(EA), eV:	-9.29(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-bromophenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)NCC(=O)NNC(=O)C(C)OC2=C(C=C(C=C2C)Cl)C

DOS

IR

Vibrations