Geometry & MOs

Info

ID:	330690
PubChem CID:	127248097
Reduced:	SN3O3C17H27 (1)
Stoich.:	AB3C3D17E27 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	-111.78
Dipole, Da:	4.86
IP(EA), eV:	-8.04(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]methanone

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(C1)(CN2CCN(CC2)C3=CC=CC=C3)O

DOS

IR

Vibrations