Geometry & MOs

Info

ID:	440516
PubChem CID:	135230502
Reduced:	O2N3C19H23 (2)
Stoich.:	A2B3C19D23 (2)
Weight, g/mol:	296.086015
ΔH_f, kcal/mol:	-77.89
Dipole, Da:	7.29
IP(EA), eV:	-8.72(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3,4-difluorophenyl)-5-(2-methoxyethyl)furan-3-carboxylate

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC(=O)C2=CC=C(C=C2)C3=NN(C(=C3C)NC(=O)N[C@@H]4CC(O[C@H]4C5=CC=CC=C5)CCOC)C6=CC=CC=C6

DOS

IR

Vibrations