Geometry & MOs

Info

ID:	284393
PubChem CID:	104046430
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	317.00851
ΔH_f, kcal/mol:	-73.13
Dipole, Da:	2.07
IP(EA), eV:	-8.63(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(5-bromothiophen-2-yl)ethylamino]-2-cyclopropylacetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations