Geometry & MOs

Info

ID:	162054
PubChem CID:	57393457
Reduced:	ClO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	421.095997
ΔH_f, kcal/mol:	-36.52
Dipole, Da:	1.73
IP(EA), eV:	-9.35(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(4-chlorophenyl)-(2-chloropyridin-3-yl)methoxy]azetidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C2=CN=C(C=C2)Cl)OC3CN(C3)C(=O)N4CCCCC4

DOS

IR

Vibrations