Geometry & MOs

Info

ID:	333830
PubChem CID:	127252382
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	1.67
Dipole, Da:	1.24
IP(EA), eV:	-9.42(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-phenoxyethanone

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)CC2=CC=CC=C2)C3=CC=NN3

DOS

IR

Vibrations