Geometry & MOs

Info

ID:	144299
PubChem CID:	53346600
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	333.173366
ΔH_f, kcal/mol:	-44.34
Dipole, Da:	0.49
IP(EA), eV:	-9.41(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2Z)-1-(azepan-1-yl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone;chloride

Drug info:

PubChemData

Smile

CN(C1CNC1)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations