Geometry & MOs

Info

ID:	355463
PubChem CID:	127288526
Reduced:	O3N5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	321.205242
ΔH_f, kcal/mol:	-87.78
Dipole, Da:	5.24
IP(EA), eV:	-9.42(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3=CN(C(=O)NC3=O)C

DOS

IR

Vibrations