Geometry & MOs

Info

ID:	169925
PubChem CID:	75168271
Reduced:	SN6O6C24H30 (1)
Stoich.:	AB6C6D24E30 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	-118.42
Dipole, Da:	9.57
IP(EA), eV:	-9.25(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azetidin-2-ylmethoxy)-5-[5-(2-phenylmethoxyethyl)pyridin-3-yl]pyridine

Drug info:

PubChemData

Smile

CC1=NN=C(N1NC(=O)CNCC2=CC(=O)N=C3C2C=C(C=C3)C(C)(C)C)SC.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations