Geometry & MOs

Info

ID:	392953
PubChem CID:	135018676
Reduced:	YC7H7 (1)
Stoich.:	AB7C7 (1)
Weight, g/mol:	286.087291
ΔH_f, kcal/mol:	114.09
Dipole, Da:	3.04
IP(EA), eV:	-5.41(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(4-chlorophenyl)-5,6,7,8-tetrahydro-1H-isochromene-4-carbonitrile

Drug info:

PubChemData

Smile

[CH-]1C2C=CC1C=C2.[Y]

DOS

IR

Vibrations