Geometry & MOs

Info

ID:	69181
PubChem CID:	46530357
Reduced:	ClNO6H24C27 (1)
Stoich.:	ABC6D24E27 (1)
Weight, g/mol:	404.137222
ΔH_f, kcal/mol:	-169.29
Dipole, Da:	3.81
IP(EA), eV:	-9.21(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[3-methoxy-4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]oxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)OC)OC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations