Geometry & MOs

Info

ID:	363971
PubChem CID:	127313640
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-63.85
Dipole, Da:	4.87
IP(EA), eV:	-9.36(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(=O)N2CCCC(C2)(C)C

DOS

IR

Vibrations