Geometry & MOs

Info

ID:	370728
PubChem CID:	127340016
Reduced:	OS2N4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	59.52
Dipole, Da:	3.88
IP(EA), eV:	-9.15(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=NN2)C(=O)C3=CN=C(S3)C4=CSC=C4

DOS

IR

Vibrations