Geometry & MOs

Info

ID:	218170
PubChem CID:	85088987
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	436.188589
ΔH_f, kcal/mol:	-47.13
Dipole, Da:	2.57
IP(EA), eV:	-8.64(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-hydroxy-7-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)prop-2-enoyl]hepta-4,6-dienoate

Drug info:

PubChemData

Smile

CC1NC2CCC(CC2C(=O)N1)N3C(=NC(=CC4=CC=C(C=C4)OC)C3=O)C5=CC=CC=C5

DOS

IR

Vibrations