Geometry & MOs

Info

ID:	296922
PubChem CID:	117601226
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	377.148789
ΔH_f, kcal/mol:	-91.12
Dipole, Da:	3.21
IP(EA), eV:	-9.01(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(4-cyano-2-methylphenyl)-3-oxo-1H-pyrazol-2-yl]-N-(3-hydroxypropyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)N(C)C2CCC2

DOS

IR

Vibrations