Geometry & MOs

Info

ID:	407424
PubChem CID:	135080081
Reduced:	BrO2C24H31 (1)
Stoich.:	AB2C24D31 (1)
Weight, g/mol:	400.152203
ΔH_f, kcal/mol:	-86.66
Dipole, Da:	2.45
IP(EA), eV:	-9.06(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-(3-methoxybenzoyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)C(CC2=CC=CC=C2)Br)C(C)(C)C

DOS

IR

Vibrations