Geometry & MOs

Info

ID:	331372
PubChem CID:	127248779
Reduced:	FO3N5C21H28 (1)
Stoich.:	AB3C5D21E28 (1)
Weight, g/mol:	431.232125
ΔH_f, kcal/mol:	-105.92
Dipole, Da:	4.37
IP(EA), eV:	-8.63(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)-4-[4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)CC(=O)NCCOC)C3=CC(=CC=C3)F

DOS

IR

Vibrations