Geometry & MOs

Info

ID:	158067
PubChem CID:	56459457
Reduced:	ClO2N3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-45.32
Dipole, Da:	2.75
IP(EA), eV:	-8.93(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)C1=CC=CC(=C1)CN2CCOCC2)C3=CC=CC=C3Cl

DOS

IR

Vibrations