Geometry & MOs

Info

ID:	27994
PubChem CID:	824669
Reduced:	BrNH4C5 (2)
Stoich.:	ABC4D5 (2)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	65.2
Dipole, Da:	2.09
IP(EA), eV:	-9.28(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6,7-dimethoxyspiro[1,3-dihydroisochromene-4,1'-cyclopentane]-3-ol

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Br)Br)C2=CC=CC=C2

DOS

IR

Vibrations