Geometry & MOs

Info

ID:	76951
PubChem CID:	48425616
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	-73.3
Dipole, Da:	1.07
IP(EA), eV:	-9.51(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[2-(diethylamino)-2-oxoethyl]-5-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC=CC=[N+]1[O-]

DOS

IR

Vibrations