Geometry & MOs

Info

ID:	433827
PubChem CID:	135173970
Reduced:	SN2O2C20H26 (1)
Stoich.:	AB2C2D20E26 (1)
Weight, g/mol:	270.125594
ΔH_f, kcal/mol:	-30.44
Dipole, Da:	6.43
IP(EA), eV:	-9.31(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-phenoxyphenyl)methoxy]butan-2-one

Drug info:

PubChemData

Smile

CC(=C)C(=O)C1=CC=CC(=C1)CCCN2C[C@@H]3C[C@H]2CN3CC(=O)S

DOS

IR

Vibrations