Geometry & MOs

Info

ID:	331846
PubChem CID:	127250132
Reduced:	N2O2C25H28 (1)
Stoich.:	A2B2C25D28 (1)
Weight, g/mol:	413.187005
ΔH_f, kcal/mol:	-7.69
Dipole, Da:	2.06
IP(EA), eV:	-8.65(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[5-[(2-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=CN=C(C=C2)C3CN(CCO3)CCC4=CC=CC=C4

DOS

IR

Vibrations