Geometry & MOs

Info

ID:	62665
PubChem CID:	26732632
Reduced:	NO2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	287.115758
ΔH_f, kcal/mol:	-104.93
Dipole, Da:	5.82
IP(EA), eV:	-9.16(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] furan-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)COC2=C(C=CC(=C2)C)C(C)C)/C#N

DOS

IR

Vibrations