Geometry & MOs

Info

ID:	371817
PubChem CID:	131272781
Reduced:	ISO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-49.9
Dipole, Da:	2.45
IP(EA), eV:	-9.3(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(6-methoxy-3,4-dihydro-2H-chromen-5-yl)acetonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C2C=C(SC2=C1)C=O)I

DOS

IR

Vibrations