Geometry & MOs

Info

ID:	414127
PubChem CID:	135087082
Reduced:	PO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	311.99972
ΔH_f, kcal/mol:	-169.99
Dipole, Da:	2.84
IP(EA), eV:	-8.97(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-4-bromo-5-(4-methoxyphenyl)-3-oxopent-4-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OP(=O)(C(C)(C)C)OC2=CC=CC(=C2)C

DOS

IR

Vibrations