Geometry & MOs

Info

ID:	84358
PubChem CID:	49865987
Reduced:	NOSCl2C15H21 (1)
Stoich.:	ABCD2E15F21 (1)
Weight, g/mol:	328.167459
ΔH_f, kcal/mol:	-49.04
Dipole, Da:	2.84
IP(EA), eV:	-9.41(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,4-dimethoxyphenyl)phenyl]-6-hydroxyhexan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)CCC1(CCNC1)C(=O)C2=CC(=C(S2)Cl)Cl

DOS

IR

Vibrations