Geometry & MOs

Info

ID:	216175
PubChem CID:	85085832
Reduced:	NOH15C16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	6.85
Dipole, Da:	4.47
IP(EA), eV:	-9.06(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-(1-hydroxycyclopent-2-en-1-yl)pent-3-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N)C=CC2=CC=CC=C2

DOS

IR

Vibrations