Geometry & MOs

Info

ID:	284441
PubChem CID:	104046540
Reduced:	BrNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-76.92
Dipole, Da:	3.05
IP(EA), eV:	-8.46(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyclopropyl-2-(2-pyrazol-1-ylethylamino)acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(C2CC2)C(=O)OC)Br

DOS

IR

Vibrations