Geometry & MOs

Info

ID:	358815
PubChem CID:	127296683
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	396.150764
ΔH_f, kcal/mol:	33.53
Dipole, Da:	3.91
IP(EA), eV:	-9.31(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)N4CCC(=C)CC4

DOS

IR

Vibrations