Geometry & MOs

Info

ID:	77116
PubChem CID:	48425821
Reduced:	BrN2O3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	321.168856
ΔH_f, kcal/mol:	-129.38
Dipole, Da:	1.18
IP(EA), eV:	-9.27(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=C(OC(=C1Br)C)C

DOS

IR

Vibrations