Geometry & MOs

Info

ID:	390637
PubChem CID:	135000096
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	435.158292
ΔH_f, kcal/mol:	-104.1
Dipole, Da:	3.6
IP(EA), eV:	-9.57(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-benzamido-3-(4-methyl-2,6-diphenylpyrimidin-5-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C/C=C(/CCC(=O)C)\CCO

DOS

IR

Vibrations