Geometry & MOs

Info

ID:	76900
PubChem CID:	48425548
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	-31.06
Dipole, Da:	0.53
IP(EA), eV:	-9.46(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[2-(diethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=CC=N2)C(=O)NCC(=O)N(CC)CC

DOS

IR

Vibrations