Geometry & MOs

Info

ID:	446214
PubChem CID:	135273186
Reduced:	N2O3C29H34 (1)
Stoich.:	A2B3C29D34 (1)
Weight, g/mol:	247.14331
ΔH_f, kcal/mol:	-40.26
Dipole, Da:	3.82
IP(EA), eV:	-8.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[(2R)-1-(3-methylpyrazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C3=C(C=C(C=C3)OC)C(=N[C@H]2CC(=O)C(C)(C)C)C4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations