Geometry & MOs

Info

ID:	331883
PubChem CID:	127250169
Reduced:	ClON4C22H23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	415.166269
ΔH_f, kcal/mol:	23.49
Dipole, Da:	2.85
IP(EA), eV:	-8.87(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations