Geometry & MOs

Info

ID:	65999
PubChem CID:	46484920
Reduced:	NSO5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-186.1
Dipole, Da:	3.82
IP(EA), eV:	-9.45(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-cyclopropyl-N-(6-methoxypyridin-3-yl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C(C)C

DOS

IR

Vibrations