Geometry & MOs

Info

ID:	31713
PubChem CID:	863795
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	344.137222
ΔH_f, kcal/mol:	-32.75
Dipole, Da:	4.66
IP(EA), eV:	-8.4(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations