Geometry & MOs

Info

ID:	249629
PubChem CID:	103090979
Reduced:	ON2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	35.39
Dipole, Da:	2.53
IP(EA), eV:	-8.95(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-methyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-one

Drug info:

PubChemData

Smile

C/C(=C\C1=CN(N=C1)C2=CC=CC=C2)/C(=O)C

DOS

IR

Vibrations