Geometry & MOs

Info

ID:	151888
PubChem CID:	56310712
Reduced:	SO3N4C24H30 (1)
Stoich.:	AB3C4D24E30 (1)
Weight, g/mol:	386.200571
ΔH_f, kcal/mol:	-90.57
Dipole, Da:	7.22
IP(EA), eV:	-8.35(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-N-propan-2-ylanilino)ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations