Geometry & MOs

Info

ID:	161823
PubChem CID:	57392780
Reduced:	NO2F4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	314.082205
ΔH_f, kcal/mol:	-267.16
Dipole, Da:	5.73
IP(EA), eV:	-8.44(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methoxy]-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile

Drug info:

PubChemData

Smile

CCC1=C2C=C(NC2=CC=C1)CC(CC(C)(C)C3=C(C=CC(=C3)F)OC)(C(F)(F)F)O

DOS

IR

Vibrations