Geometry & MOs

Info

ID:	233135
PubChem CID:	87692520
Reduced:	AsNSiTiC25H34 (1)
Stoich.:	ABCDE25F34 (1)
Weight, g/mol:	494.14411
ΔH_f, kcal/mol:	285.93
Dipole, Da:	2.4
IP(EA), eV:	-6.38(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S)-1-[3-[(3-amino-6-bromo-5-fluoropyridin-2-yl)methylamino]pyridin-4-yl]piperidin-3-yl]carbamate

Drug info:

PubChemData

Smile

[CH3-].[CH3-].CC(C)(C)[NH-].C[As](C)C1=C(C(=[C-]C1)C2=CC=CC=C2)C3=CC=CC=C3.[Si].[Ti+4]

DOS

IR

Vibrations