Geometry & MOs

Info

ID:	59139
PubChem CID:	24771180
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-98.44
Dipole, Da:	3.94
IP(EA), eV:	-8.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dihydroxyphenyl)-N-propan-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CN(C)CCCNC(=O)/C=C/C1=CC(=C(C=C1)O)O

DOS

IR

Vibrations