Geometry & MOs

Info

ID:	303816
PubChem CID:	124490212
Reduced:	FNOC20H22 (1)
Stoich.:	ABCD20E22 (1)
Weight, g/mol:	311.168543
ΔH_f, kcal/mol:	-40.68
Dipole, Da:	2.87
IP(EA), eV:	-9.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(azepan-1-yl)-1-(4-fluorophenyl)-2-phenylethanone

Drug info:

PubChemData

Smile

C1CCCN(CC1)[C@@H](C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations