Geometry & MOs

Info

ID:	181257
PubChem CID:	76722862
Reduced:	N3O4C22H31 (1)
Stoich.:	A3B4C22D31 (1)
Weight, g/mol:	519.270877
ΔH_f, kcal/mol:	-135.34
Dipole, Da:	6.25
IP(EA), eV:	-9.17(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-piperidin-1-yl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopent-2-en-1-yl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CN(C=O)OCC2=CC=CC=C2)C(=O)N3CCCC3C(=O)N

DOS

IR

Vibrations