Geometry & MOs

Info

ID:	25885
PubChem CID:	632637
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	426.167853
ΔH_f, kcal/mol:	-28.64
Dipole, Da:	2.41
IP(EA), eV:	-8.11(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-benzoyl-3-(3,4-dimethoxyphenyl)-2-ethylcyclopropane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC2=CC=C(C=C2)N)OC)CC3=CN=C(N=C3N)N

DOS

IR

Vibrations