Geometry & MOs

Info

ID:	184020
PubChem CID:	77102316
Reduced:	NOC6H11 (2)
Stoich.:	ABC6D11 (2)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-93.7
Dipole, Da:	2.52
IP(EA), eV:	-8.8(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]but-2-enoate

Drug info:

PubChemData

Smile

CCC(=CCN1CCCC(C1)N)C(=O)OC

DOS

IR

Vibrations