Geometry & MOs

Info

ID:	405895
PubChem CID:	135075894
Reduced:	ClO2N3H12C19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	312.066555
ΔH_f, kcal/mol:	55.34
Dipole, Da:	7.39
IP(EA), eV:	-9.06(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 7-chloro-1-cyano-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=CC=C3Cl)C(=C(C#N)C#N)C2=O

DOS

IR

Vibrations