Geometry & MOs

Info

ID:	311263
PubChem CID:	126590100
Reduced:	SN4O4H20C22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	585.373056
ΔH_f, kcal/mol:	-45.5
Dipole, Da:	7.98
IP(EA), eV:	-8.48(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(7-azaspiro[3.5]nonan-7-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methylpyridin-2-yl]methyl]-1-(oxan-4-yl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CC=O)OC2=C3C(=NC=C2)C=C(S3)C4=CN(C=N4)COC

DOS

IR

Vibrations