Geometry & MOs

Info

ID:	342567
PubChem CID:	127265727
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-63.91
Dipole, Da:	2.92
IP(EA), eV:	-8.8(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-3-(4-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1)O)O)NC(=O)C=CC2=CC=NN2C

DOS

IR

Vibrations