Geometry & MOs

Info

ID:	76877
PubChem CID:	48425510
Reduced:	N3O4C10H19 (1)
Stoich.:	A3B4C10D19 (1)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	-189.04
Dipole, Da:	4.53
IP(EA), eV:	-9.83(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[2-(diethylamino)-2-oxoethyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CNC(=O)OC

DOS

IR

Vibrations