Geometry & MOs

Info

ID:	259267
PubChem CID:	103162357
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	278.151809
ΔH_f, kcal/mol:	-80.22
Dipole, Da:	3.77
IP(EA), eV:	-9.69(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

C1CC(C1)CC(=O)C2=CC3=C(C=C2)NC(=O)CC(=O)N3

DOS

IR

Vibrations