Geometry & MOs

Info

ID:	90069
PubChem CID:	49966157
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-65.5
Dipole, Da:	5.27
IP(EA), eV:	-8.01(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[[4-(dimethylamino)phenyl]methyl]-4-ethoxy-4-hydroxybut-3-en-2-one

Drug info:

PubChemData

Smile

C/C(=C(\CC1=CC=C(C=C1)N(C)C)/C(=O)C)/O

DOS

IR

Vibrations