Geometry & MOs

Info

ID:	366044
PubChem CID:	127319352
Reduced:	SO2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-76.31
Dipole, Da:	6.21
IP(EA), eV:	-8.52(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrrolidin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2CSCN2C(=O)C3CCCN3C)C

DOS

IR

Vibrations