Geometry & MOs

Info

ID:	372647
PubChem CID:	131301559
Reduced:	INO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	282.00039
ΔH_f, kcal/mol:	-60.17
Dipole, Da:	3.45
IP(EA), eV:	-9.21(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-7-bromo-4-(hydroxymethyl)-2,3-dihydrochromene-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1C(CCO2)(CO)N)I

DOS

IR

Vibrations