Geometry & MOs

Info

ID:	372240
PubChem CID:	131294594
Reduced:	BrN3H6C9 (1)
Stoich.:	AB3C6D9 (1)
Weight, g/mol:	231.046234
ΔH_f, kcal/mol:	79.31
Dipole, Da:	4.09
IP(EA), eV:	-9.38(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-4-amino-7-chloro-6-fluoro-2,3-dihydrochromen-4-yl]methanol

Drug info:

PubChemData

Smile

CC1=NN2C(=C1C#N)C=CC=C2Br

DOS

IR

Vibrations