Geometry & MOs

Info

ID:	169412
PubChem CID:	75101781
Reduced:	ClON4C29H29 (1)
Stoich.:	ABC4D29E29 (1)
Weight, g/mol:	545.361742
ΔH_f, kcal/mol:	50.79
Dipole, Da:	5.18
IP(EA), eV:	-8.9(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-benzyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

C1C(CN(C1C(=O)NCC2=CN=CC=C2)CC3=CC=CC=C3Cl)NCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations