Geometry & MOs

Info

ID:	129384
PubChem CID:	51072453
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	337.124883
ΔH_f, kcal/mol:	-122.46
Dipole, Da:	4.5
IP(EA), eV:	-9.61(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)NCCOC)C1=CC=CC=C1

DOS

IR

Vibrations