Geometry & MOs

Info

ID:	272629
PubChem CID:	103750382
Reduced:	N3O5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	248.040421
ΔH_f, kcal/mol:	-100.16
Dipole, Da:	4.04
IP(EA), eV:	-8.98(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-3-fluorophenyl)-(2-methylphenyl)methanone

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1O)C2=C(C=C3C(=C2)NC(=O)CO3)[N+](=O)[O-]

DOS

IR

Vibrations