Geometry & MOs

Info

ID:	397962
PubChem CID:	135031140
Reduced:	SN2O5C54H56 (1)
Stoich.:	AB2C5D54E56 (1)
Weight, g/mol:	272.096793
ΔH_f, kcal/mol:	57.48
Dipole, Da:	1.51
IP(EA), eV:	-8.52(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-2,2-dimethyl-1-phenylpropan-1-one

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2CN([C@@H](COCC3=CC=C(S3)COC[C@H](N(CC4=CC=CC=C4OCCO1)CC5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)CC8=CC=CC=C8

DOS

IR

Vibrations