Geometry & MOs

Info

ID:	194748
PubChem CID:	78584863
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	334.089121
ΔH_f, kcal/mol:	-35.65
Dipole, Da:	3.24
IP(EA), eV:	-8.93(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-adamantyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(=CC2=C(C(=CC=C2)OC)OC)C#N)C

DOS

IR

Vibrations