Geometry & MOs

Info

ID:	27607
PubChem CID:	822517
Reduced:	ClNSO2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	320.188863
ΔH_f, kcal/mol:	-76.17
Dipole, Da:	4.02
IP(EA), eV:	-9.43(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-4-ylidene)-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations