Geometry & MOs

Info

ID:	158786
PubChem CID:	56475046
Reduced:	F2O2N3C26H31 (1)
Stoich.:	A2B2C3D26E31 (1)
Weight, g/mol:	406.262028
ΔH_f, kcal/mol:	-158.02
Dipole, Da:	9.09
IP(EA), eV:	-8.26(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutanoyl)-N-[2-methyl-2-(3-methylphenyl)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3CCN(C3)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations