Geometry & MOs

Info

ID:	364640
PubChem CID:	127315935
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-64.5
Dipole, Da:	5.39
IP(EA), eV:	-8.73(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-dimethylpiperidin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)C2COC3=CC=CC=C23

DOS

IR

Vibrations