Geometry & MOs

Info

ID:	306137
PubChem CID:	125001719
Reduced:	O3N4C25H28 (1)
Stoich.:	A3B4C25D28 (1)
Weight, g/mol:	421.21139
ΔH_f, kcal/mol:	-66.89
Dipole, Da:	5.66
IP(EA), eV:	-9.26(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminopropoxy)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CCCN1CCN(C[C@H](C1=O)CC2=CC=CC=C2C3=CC=CC=C3)C(=O)C4=CNC(=O)N4

DOS

IR

Vibrations