Geometry & MOs

Info

ID:	136232
PubChem CID:	52003480
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	7.52
Dipole, Da:	3.22
IP(EA), eV:	-8.27(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzamido-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(N=C2)CCC(=O)NCCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations