Geometry & MOs

Info

ID:	364666
PubChem CID:	127315961
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-74.52
Dipole, Da:	7.31
IP(EA), eV:	-8.71(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3=COC4=CC=CC=C43

DOS

IR

Vibrations