Geometry & MOs

Info

ID:	266185
PubChem CID:	103558723
Reduced:	ClO2N3C11H14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-49.82
Dipole, Da:	3.93
IP(EA), eV:	-10.06(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)NC2=NC(=NC=C2)Cl

DOS

IR

Vibrations