Geometry & MOs

Info

ID:	372943
PubChem CID:	131307290
Reduced:	BrN2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	49.27
Dipole, Da:	3.5
IP(EA), eV:	-9.65(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R)-4-amino-8-(dimethylamino)-2,3-dihydrochromen-4-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C(=C2CCCC2=N1)C#N)Br

DOS

IR

Vibrations