Geometry & MOs

Info

ID:	326583
PubChem CID:	126687826
Reduced:	NO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-103.49
Dipole, Da:	5.66
IP(EA), eV:	-9.98(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(CC=C)C(=O)C(=C)CC(=O)O

DOS

IR

Vibrations