Geometry & MOs

Info

ID:	186087
PubChem CID:	77389626
Reduced:	NO2C9H12 (4)
Stoich.:	AB2C9D12 (4)
Weight, g/mol:	376.152203
ΔH_f, kcal/mol:	-274.88
Dipole, Da:	7.09
IP(EA), eV:	-8.97(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-[4-(3-ethoxy-3-oxoprop-1-enyl)-2-methoxyphenyl] 4-O-propyl 2-methylidenebutanedioate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)C2CCCC(=CC3=CC(=C(C=C3)OC(=O)C(CCCCN)N)CO)C2=O)OC(=O)C(CCCCN)N

DOS

IR

Vibrations