Geometry & MOs

Info

ID:	332377
PubChem CID:	127250663
Reduced:	N2O2C12H15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	-134.0
Dipole, Da:	5.22
IP(EA), eV:	-9.7(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[4-[2-(3,4-dimethylphenyl)acetyl]morpholin-2-yl]pyridin-3-yl]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=NC=C(C=C1)C2=CN=C(C=C2)C3CN(CCO3)C(=O)CC4(CCCCC4)O

DOS

IR

Vibrations