Geometry & MOs

Info

ID:	295159
PubChem CID:	117518945
Reduced:	BrN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	355.04192
ΔH_f, kcal/mol:	-57.08
Dipole, Da:	1.26
IP(EA), eV:	-8.76(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(6-bromospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)butanoic acid

Drug info:

PubChemData

Smile

CC1(COC2=C(C(=CC(=C2)CN3CCNCC3)Br)OC1)C

DOS

IR

Vibrations