Geometry & MOs

Info

ID:	306407
PubChem CID:	125011609
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	460.258674
ΔH_f, kcal/mol:	17.84
Dipole, Da:	8.63
IP(EA), eV:	-8.95(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-3-hydroxy-1-(1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-(4-methylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NC(=O)C=C(N1)[C@@H]2CCCN(C2)CC3=CN(N=C3)C

DOS

IR

Vibrations