Geometry & MOs

Info

ID:	287774
PubChem CID:	104294265
Reduced:	NOH15C18 (1)
Stoich.:	ABC15D18 (1)
Weight, g/mol:	257.121592
ΔH_f, kcal/mol:	23.02
Dipole, Da:	4.69
IP(EA), eV:	-8.64(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-5-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N)C(=O)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations