Geometry & MOs

Info

ID:	145736
PubChem CID:	53583682
Reduced:	BrFN2O2H12C14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	349.21139
ΔH_f, kcal/mol:	-42.78
Dipole, Da:	1.49
IP(EA), eV:	-9.34(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)N2CCCC3=C2C(=CC(=C3)Br)F

DOS

IR

Vibrations