Geometry & MOs

Info

ID:	335130
PubChem CID:	127253991
Reduced:	N3O4C31H31 (1)
Stoich.:	A3B4C31D31 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-40.08
Dipole, Da:	3.27
IP(EA), eV:	-8.23(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(CN2C3=C(C4=C(C2=O)C(=C(C=C4)OC)OC)C(=O)C5=CC=CC=C53)C6=CC=CC=C6

DOS

IR

Vibrations