Geometry & MOs

Info

ID:	180138
PubChem CID:	76583676
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	368.129156
ΔH_f, kcal/mol:	-33.27
Dipole, Da:	7.53
IP(EA), eV:	-8.9(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]oxy-8aH-isoquinolin-1-one

Drug info:

PubChemData

Smile

CCN1CCC(CC1)COC2=CC3=CC=NC(=O)C3C=C2

DOS

IR

Vibrations