Geometry & MOs

Info

ID:	253830
PubChem CID:	103120941
Reduced:	ON7C11H11 (1)
Stoich.:	AB7C11D11 (1)
Weight, g/mol:	238.179361
ΔH_f, kcal/mol:	77.18
Dipole, Da:	1.36
IP(EA), eV:	-8.98(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CN2C(=C(C=N2)C(=O)NCC3=C(NN=C3)N)C=N1

DOS

IR

Vibrations