Geometry & MOs

Info

ID:	426547
PubChem CID:	135146070
Reduced:	BrN3O4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	430.201634
ΔH_f, kcal/mol:	-72.57
Dipole, Da:	5.45
IP(EA), eV:	-9.48(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-carbamoyl-5-(4-fluoro-2-methoxyphenyl)pyridin-2-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)C2=NC3=C(O2)CN(C3)C(=O)CN4CC(C4)C(=O)O

DOS

IR

Vibrations