Geometry & MOs

Info

ID:	254149
PubChem CID:	103123091
Reduced:	O3N4C12H18 (1)
Stoich.:	A3B4C12D18 (1)
Weight, g/mol:	210.148061
ΔH_f, kcal/mol:	-78.08
Dipole, Da:	6.06
IP(EA), eV:	-9.47(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CNCCC1C2=C(N=NN2C3CCOC3)C(=O)O

DOS

IR

Vibrations