Geometry & MOs

Info

ID:	306372
PubChem CID:	125011482
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	440.242356
ΔH_f, kcal/mol:	-55.92
Dipole, Da:	5.72
IP(EA), eV:	-9.28(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methylamino]-2-oxoethyl]cyclopentyl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC(=O)N(C)C[C@]2(CCCN(C2)C3=NC=CC=N3)O

DOS

IR

Vibrations