Geometry & MOs

Info

ID:	332158
PubChem CID:	127250444
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	440.222369
ΔH_f, kcal/mol:	-49.97
Dipole, Da:	2.79
IP(EA), eV:	-8.95(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-[5-(2-fluorophenyl)pyridin-2-yl]morpholin-4-yl]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)OC)CN(C)C

DOS

IR

Vibrations