Geometry & MOs

Info

ID:	416184
PubChem CID:	135089193
Reduced:	OF2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	430.330777
ΔH_f, kcal/mol:	-90.72
Dipole, Da:	4.36
IP(EA), eV:	-8.76(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2=CC(=CC(=C2)F)F

DOS

IR

Vibrations