Geometry & MOs

Info

ID:	333717
PubChem CID:	127252269
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	427.150761
ΔH_f, kcal/mol:	-47.27
Dipole, Da:	6.63
IP(EA), eV:	-9.06(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-4-yl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)C3=CC=NC=C3)O)COC4=CC=CC=C4

DOS

IR

Vibrations