Geometry & MOs

Info

ID:	146891
PubChem CID:	53766400
Reduced:	ClN2F4O4H17C19 (1)
Stoich.:	AB2C4D4E17F19 (1)
Weight, g/mol:	365.246713
ΔH_f, kcal/mol:	-338.12
Dipole, Da:	5.78
IP(EA), eV:	-8.9(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-aminophenyl)-4-[2-[di(propan-2-yl)amino]ethyl]-2,4-dihydro-1H-isoquinolin-3-one

Drug info:

PubChemData

Smile

CCC(=O)OC(=O)N(CC)C1=C(C=C(C=C1)OC2=C(C=C(C=C2Cl)C(F)(F)F)F)N

DOS

IR

Vibrations