Geometry & MOs

Info

ID:	51759
PubChem CID:	12014490
Reduced:	O4N5C22H23 (1)
Stoich.:	A4B5C22D23 (1)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-31.56
Dipole, Da:	6.01
IP(EA), eV:	-8.12(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-5-(2-methylpropyl)furan-3-carboxylate

Drug info:

PubChemData

Smile

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N=C(NC#N)NC3=CC(=C(C=C3)OC)OC)O)C

DOS

IR

Vibrations