Geometry & MOs

Info

ID:	200905
PubChem CID:	79460457
Reduced:	BrNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	283.087829
ΔH_f, kcal/mol:	-43.72
Dipole, Da:	3.55
IP(EA), eV:	-8.88(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(4-methoxythiophene-2-carbonyl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC(=CC=C2)OC)Br

DOS

IR

Vibrations