Geometry & MOs

Info

ID:	437076
PubChem CID:	135214584
Reduced:	N2S2O6C27H40 (1)
Stoich.:	A2B2C6D27E40 (1)
Weight, g/mol:	355.170292
ΔH_f, kcal/mol:	-216.74
Dipole, Da:	5.89
IP(EA), eV:	-8.48(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OS(=O)(=O)CCN3CCN(CC3)CCS(=O)C(C)(C)OC

DOS

IR

Vibrations