Geometry & MOs

Info

ID:	377517
PubChem CID:	134223574
Reduced:	SN2H32C48 (1)
Stoich.:	AB2C32D48 (1)
Weight, g/mol:	372.172545
ΔH_f, kcal/mol:	226.48
Dipole, Da:	4.26
IP(EA), eV:	-8.05(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylphenyl)-[4-(4-methoxybenzoyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1C=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)SC6=C5C=C(C=C6)C7=CC(=CC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C12

DOS

IR

Vibrations