Geometry & MOs

Info

ID:	404124
PubChem CID:	135065093
Reduced:	N2O2C7H12 (2)
Stoich.:	A2B2C7D12 (2)
Weight, g/mol:	326.195405
ΔH_f, kcal/mol:	-115.2
Dipole, Da:	5.86
IP(EA), eV:	-8.69(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(dimethylcarbamoyl)-5-methyl-2-oxido-3-propylpyrazol-2-ium-1-yl]carbamate

Drug info:

PubChemData

Smile

CCC1=[N+](N(C(=C1C(=O)N(C)C)C)NC(=O)OC(C)(C)C)[O-]

DOS

IR

Vibrations