Geometry & MOs

Info

ID:	136208
PubChem CID:	51998620
Reduced:	N2O2C12H13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	320.184841
ΔH_f, kcal/mol:	-38.72
Dipole, Da:	8.69
IP(EA), eV:	-8.11(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclopentanecarbonylamino)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=NN(C(=C2)NC(=O)C3CC3)C4=CC=CC=C4

DOS

IR

Vibrations