Geometry & MOs

Info

ID:	320613
PubChem CID:	126662049
Reduced:	N4O4C25H34 (1)
Stoich.:	A4B4C25D34 (1)
Weight, g/mol:	112.088815
ΔH_f, kcal/mol:	-65.76
Dipole, Da:	3.53
IP(EA), eV:	-8.91(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-ethylpenta-1,3-dien-2-ol

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)N2CCCC(CC2)COC3=CC=C(C=C3)C4=CCC(CC4)C(=O)NOC

DOS

IR

Vibrations