Geometry & MOs

Info

ID:	195250
PubChem CID:	78665158
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	393.080157
ΔH_f, kcal/mol:	25.31
Dipole, Da:	12.34
IP(EA), eV:	-5.44(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-chlorophenyl)ethenylsulfonyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

DOS

IR

Vibrations