Geometry & MOs

Info

ID:	331851
PubChem CID:	127250137
Reduced:	FO2N3C25H32 (1)
Stoich.:	AB2C3D25E32 (1)
Weight, g/mol:	429.181919
ΔH_f, kcal/mol:	-96.68
Dipole, Da:	3.18
IP(EA), eV:	-8.87(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[5-[(2-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CN2CCOC(C2)C3=NC=C(C=C3)CC4=CC=CC=C4F

DOS

IR

Vibrations