Geometry & MOs

Info

ID:	190665
PubChem CID:	78037839
Reduced:	ClF3N3O5C29H34 (1)
Stoich.:	AB3C3D5E29F34 (1)
Weight, g/mol:	402.226705
ΔH_f, kcal/mol:	-342.59
Dipole, Da:	5.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756232
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CC(CN1C(=O)C(C=[N+](C1=O)CC2=CC=CC=C2C(F)(F)F)C3=C(C(=CC=C3)OC)Cl)NCCCC(=O)O

DOS

IR

Vibrations