Geometry & MOs

Info

ID:	168316
PubChem CID:	74951139
Reduced:	O7C24H26 (1)
Stoich.:	A7B24C26 (1)
Weight, g/mol:	363.168188
ΔH_f, kcal/mol:	-219.04
Dipole, Da:	1.32
IP(EA), eV:	-8.64(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[1,3-dihydro-2-benzofuran-4-ylmethyl(3-methoxypropyl)amino]but-2-enedioate

Drug info:

PubChemData

Smile

CC1(OC2C(C(C=C(C2O1)C3=CC4=C(C=C3)OCO4)O)OCC5=CC=C(C=C5)OC)C

DOS

IR

Vibrations