Geometry & MOs

Info

ID:	162053
PubChem CID:	57393454
Reduced:	ClN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	399.171355
ΔH_f, kcal/mol:	-82.4
Dipole, Da:	5.41
IP(EA), eV:	-9.1(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(6-chloropyridin-3-yl)-(2-methylphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)O1)C(=O)C)NNC2=CC=C(C=C2)Cl

DOS

IR

Vibrations