Geometry & MOs

Info

ID:	265878
PubChem CID:	103555945
Reduced:	FNO3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	294.146724
ΔH_f, kcal/mol:	-157.54
Dipole, Da:	2.7
IP(EA), eV:	-9.42(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methoxycyclobutyl)-1-(2,3,4-trimethoxyphenyl)ethanone

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)C2=C(C=C3C(=C2)CCC(=O)N3)F

DOS

IR

Vibrations