Geometry & MOs

Info

ID:	397804
PubChem CID:	135030753
Reduced:	BrNOH18C23 (1)
Stoich.:	ABCD18E23 (1)
Weight, g/mol:	368.183503
ΔH_f, kcal/mol:	64.02
Dipole, Da:	2.35
IP(EA), eV:	-8.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,3,3-trimethyl-5-[(3,4,4-trimethoxy-5-oxocyclohex-2-en-1-yl)methyl]-2H-furan-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2([C@@H](C=CC2=O)NC3=CC=CC=C3Br)C4=CC=CC=C4

DOS

IR

Vibrations