Geometry & MOs

Info

ID:	333751
PubChem CID:	127252303
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	435.134969
ΔH_f, kcal/mol:	-47.1
Dipole, Da:	2.25
IP(EA), eV:	-9.24(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[5-(3-chlorophenyl)pyridin-2-yl]morpholine-4-carbonyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1CC2(CCN(CC2)C(=O)C)N(C1)CC3=CC4=NC=CN=C4C=C3

DOS

IR

Vibrations