Geometry & MOs

Info

ID:	360581
PubChem CID:	127301226
Reduced:	ON5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	374.210661
ΔH_f, kcal/mol:	-23.78
Dipole, Da:	2.04
IP(EA), eV:	-8.65(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC(=O)CN2CCC(CC2)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations