Geometry & MOs

Info

ID:	225150
PubChem CID:	85742018
Reduced:	OS2N3C9H13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	35.49
Dipole, Da:	4.99
IP(EA), eV:	-9.46(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxyprop-1-enyl)-2-(3-methylbuta-1,3-dienyl)phenol

Drug info:

PubChemData

Smile

C1COCCN1C(CSC#N)CSC#N

DOS

IR

Vibrations