Geometry & MOs

Info

ID:	332385
PubChem CID:	127250671
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	446.206639
ΔH_f, kcal/mol:	-74.14
Dipole, Da:	6.36
IP(EA), eV:	-9.07(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-[6-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]morpholin-2-yl]pyridin-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=C(C=C4)C(=O)NC

DOS

IR

Vibrations