Geometry & MOs

Info

ID:	373048
PubChem CID:	131309076
Reduced:	BrON2H7C11 (1)
Stoich.:	ABC2D7E11 (1)
Weight, g/mol:	234.082684
ΔH_f, kcal/mol:	78.96
Dipole, Da:	2.14
IP(EA), eV:	-9.8(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6-methoxy-5-methyl-2,3-dihydrothiochromene-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=C2)C#N

DOS

IR

Vibrations