Geometry & MOs

Info

ID:	171445
PubChem CID:	75378665
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-72.25
Dipole, Da:	6.45
IP(EA), eV:	-9.29(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-imidazol-2-yl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C(=NO1)CC)CNC(=O)NC2=CC3=C(CCNC3=O)C=C2

DOS

IR

Vibrations