Geometry & MOs

Info

ID:	435056
PubChem CID:	135179026
Reduced:	FN2C11H23 (1)
Stoich.:	AB2C11D23 (1)
Weight, g/mol:	319.11392
ΔH_f, kcal/mol:	-87.91
Dipole, Da:	2.34
IP(EA), eV:	-8.72(2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1[C@@H]([C@H](CN1C(C)(C)C)F)N

DOS

IR

Vibrations