Geometry & MOs

Info

ID:	158065
PubChem CID:	56459455
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	441.218305
ΔH_f, kcal/mol:	-75.65
Dipole, Da:	2.14
IP(EA), eV:	-8.35(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)C(C2=CC=CC=C2)N3CCCC3)OC

DOS

IR

Vibrations