Geometry & MOs

Info

ID:	140841
PubChem CID:	52768247
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-102.26
Dipole, Da:	2.17
IP(EA), eV:	-9.34(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]pentanoate

Drug info:

PubChemData

Smile

COC(=O)CCCCNC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2C#N

DOS

IR

Vibrations