Geometry & MOs

Info

ID:	393127
PubChem CID:	135019475
Reduced:	BrNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	-111.53
Dipole, Da:	2.05
IP(EA), eV:	-9.33(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-methylpent-2-en-4-ynoate

Drug info:

PubChemData

Smile

CC(=CC[C@@]1(C2=C(C=C(C=C2)Br)NC1=O)CC(=O)O)C

DOS

IR

Vibrations