Geometry & MOs

Info

ID:	157965
PubChem CID:	56459354
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	394.225643
ΔH_f, kcal/mol:	-47.66
Dipole, Da:	3.95
IP(EA), eV:	-8.85(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutanoyl)-N-(3-phenoxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CC(=O)NC1=CC=CC(=C1)C#CC2=CC=CC=N2

DOS

IR

Vibrations