Geometry & MOs

Info

ID:	20444
PubChem CID:	583990
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-59.71
Dipole, Da:	4.73
IP(EA), eV:	-9.09(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethylphenyl)-(3,5-dimethylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)C)C)C

DOS

IR

Vibrations