Geometry & MOs

Info

ID:	176478
PubChem CID:	76056691
Reduced:	S2N5O9C25H29 (1)
Stoich.:	A2B5C9D25E29 (1)
Weight, g/mol:	258.111676
ΔH_f, kcal/mol:	-253.99
Dipole, Da:	8.48
IP(EA), eV:	-9.14(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-N-(4-oxopyridin-3-ylidene)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)N)C=CC4CCC(=O)O4

DOS

IR

Vibrations