Geometry & MOs

Info

ID:	228053
PubChem CID:	87563288
Reduced:	ClN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	344.17763
ΔH_f, kcal/mol:	-62.81
Dipole, Da:	2.67
IP(EA), eV:	-8.76(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzene;4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=NC(=C1)Cl)N2CCCC2

DOS

IR

Vibrations