Geometry & MOs

Info

ID:	274009
PubChem CID:	103806484
Reduced:	BrION2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	210.148061
ΔH_f, kcal/mol:	-13.56
Dipole, Da:	2.4
IP(EA), eV:	-9.41(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-2-methylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CN)NC(=O)C1=C(C=CC(=C1)Br)I

DOS

IR

Vibrations