Geometry & MOs

Info

ID:	292027
PubChem CID:	114147509
Reduced:	BrNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	-74.51
Dipole, Da:	5.03
IP(EA), eV:	-9.38(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-hydroxycyclohexyl)methyl]-2,6-dimethylpyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)NCCCC(C)Br)C

DOS

IR

Vibrations