Geometry & MOs

Info

ID:	343385
PubChem CID:	127266558
Reduced:	NOC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	225.172879
ΔH_f, kcal/mol:	-1.31
Dipole, Da:	4.11
IP(EA), eV:	-9.34(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,2-dimethyl-3-(oxan-4-yl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

C=CC(=O)N1CC2C1(CCCC2)C3=CC=CC=C3

DOS

IR

Vibrations