Geometry & MOs

Info

ID:	217582
PubChem CID:	85088041
Reduced:	OSN5H19C20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	378.146724
ΔH_f, kcal/mol:	76.94
Dipole, Da:	3.71
IP(EA), eV:	-8.07(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-3-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCN1C(=CSC1=NNC(=O)C2=C(N=C3N2C=CC=C3)C)C4=CC=CC=C4

DOS

IR

Vibrations