Geometry & MOs

Info

ID:	356121
PubChem CID:	127291157
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-170.05
Dipole, Da:	3.36
IP(EA), eV:	-9.08(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-N-(oxan-3-yl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NC3CCCOC3

DOS

IR

Vibrations