Geometry & MOs

Info

ID:	69008
PubChem CID:	46515316
Reduced:	N3O3S3C24H25 (1)
Stoich.:	A3B3C3D24E25 (1)
Weight, g/mol:	412.272593
ΔH_f, kcal/mol:	-29.65
Dipole, Da:	4.59
IP(EA), eV:	-8.69(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

COC(=O)C1(CCCCC1)NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4

DOS

IR

Vibrations