Geometry & MOs

Info

ID:	158016
PubChem CID:	56459406
Reduced:	SO3N4C24H34 (1)
Stoich.:	AB3C4D24E34 (1)
Weight, g/mol:	442.12559
ΔH_f, kcal/mol:	-81.92
Dipole, Da:	3.18
IP(EA), eV:	-8.65(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCC(CC2)C(=O)NCC3=CC(=CC=C3)OCCN4CCOCC4

DOS

IR

Vibrations