Geometry & MOs

Info

ID:	283032
PubChem CID:	103954202
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	-104.23
Dipole, Da:	3.02
IP(EA), eV:	-9.55(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpent-2-enamide

Drug info:

PubChemData

Smile

C1COCCC1(CO)NC(=O)C2CC2C3=CC=CC=C3

DOS

IR

Vibrations