Geometry & MOs

Info

ID:	165140
PubChem CID:	74504862
Reduced:	BrO2N5H14C17 (1)
Stoich.:	AB2C5D14E17 (1)
Weight, g/mol:	313.131408
ΔH_f, kcal/mol:	67.64
Dipole, Da:	10.86
IP(EA), eV:	-9.17(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 3-(furan-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=CC=C(C=C2)N3C=NN=N3

DOS

IR

Vibrations