Geometry & MOs

Info

ID:	220726
PubChem CID:	85230753
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-80.28
Dipole, Da:	4.48
IP(EA), eV:	-9.78(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-(4-methoxyphenyl)pent-4-ene-1,3-diol

Drug info:

PubChemData

Smile

CC(C=O)C1CCCC1(CCCC=C)C=O

DOS

IR

Vibrations