Geometry & MOs

Info

ID:	145561
PubChem CID:	53545258
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	358.156039
ΔH_f, kcal/mol:	-13.02
Dipole, Da:	4.93
IP(EA), eV:	-9.03(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=C(C=CS3)C4CC4)C

DOS

IR

Vibrations