Geometry & MOs

Info

ID:	291389
PubChem CID:	112281645
Reduced:	BrIO2N3C18H23 (1)
Stoich.:	ABC2D3E18F23 (1)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	-26.53
Dipole, Da:	4.54
IP(EA), eV:	-8.55(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-hydroxy-4,4-dimethylpentyl)propanamide

Drug info:

PubChemData

Smile

CCC(CN=C(N)NC1=CC=CC=C1OC)(C2=CC=C(C=C2)Br)O.I

DOS

IR

Vibrations