Geometry & MOs

Info

ID:	380064
PubChem CID:	134964838
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	114.06808
ΔH_f, kcal/mol:	-110.04
Dipole, Da:	2.9
IP(EA), eV:	-9.2(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-ethoxybuta-1,3-dien-1-ol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H]2CCCCN2C(=O)OC(C)(C)C

DOS

IR

Vibrations