Geometry & MOs

Info

ID:	280576
PubChem CID:	103849959
Reduced:	BrNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	302.99286
ΔH_f, kcal/mol:	-74.56
Dipole, Da:	5.49
IP(EA), eV:	-8.9(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)NC(=O)[C@H]2CCCO2

DOS

IR

Vibrations