Geometry & MOs

Info

ID:	58613
PubChem CID:	24712294
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	42.65
Dipole, Da:	4.54
IP(EA), eV:	-9.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C=NN1C2=CC=CC=C2)C(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations