Geometry & MOs

Info

ID:	48214
PubChem CID:	10538008
Reduced:	ON4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	240.158626
ΔH_f, kcal/mol:	94.62
Dipole, Da:	2.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.065278
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(5-amino-1-tert-butyl-3-methylpyrazol-4-yl)carbamate

Drug info:

PubChemData

Smile

CC1=C(N2C(=C1)N=[N+](N2)C3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations