Geometry & MOs

Info

ID:	131277
PubChem CID:	51185586
Reduced:	ClO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	-18.6
Dipole, Da:	4.42
IP(EA), eV:	-9.16(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(heptan-2-ylamino)-2-oxoethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N(CCC#N)CCC#N)OC1=CC=C(C=C1)Cl

DOS

IR

Vibrations