Geometry & MOs

Info

ID:	373196
PubChem CID:	131311356
Reduced:	FOSH4C5 (2)
Stoich.:	ABCD4E5 (2)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	-144.16
Dipole, Da:	3.33
IP(EA), eV:	-8.64(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carbonitrile

Drug info:

PubChemData

Smile

CSC1=C2C(=C(C(=C1)O)OC(F)F)C=CS2

DOS

IR

Vibrations