Geometry & MOs

Info

ID:	27762
PubChem CID:	823464
Reduced:	ClFNO2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	346.120509
ΔH_f, kcal/mol:	-112.21
Dipole, Da:	5.62
IP(EA), eV:	-9.3(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methoxybenzoyl)phenyl]-(4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations