Geometry & MOs

Info

ID:	339274
PubChem CID:	127260653
Reduced:	OC14H20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-45.61
Dipole, Da:	2.93
IP(EA), eV:	-9.46(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-acetyl-N-methylanilino)methyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC1CC=CCC1/C=C\2/CCCCC2=O

DOS

IR

Vibrations