Geometry & MOs

Info

ID:	332422
PubChem CID:	127250708
Reduced:	SN4O4C22H26 (1)
Stoich.:	AB4C4D22E26 (1)
Weight, g/mol:	436.247441
ΔH_f, kcal/mol:	-81.49
Dipole, Da:	7.45
IP(EA), eV:	-8.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]-2-[6-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN(N=C4)C)C)OC

DOS

IR

Vibrations