Geometry & MOs

Info

ID:	157982
PubChem CID:	56459371
Reduced:	O3N4H24C25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	406.262028
ΔH_f, kcal/mol:	-4.82
Dipole, Da:	8.2
IP(EA), eV:	-8.97(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC2=C(C=CC=N2)C#N)NC(=O)C3=CC=CC(=C3)CN4CCOCC4

DOS

IR

Vibrations