Geometry & MOs

Info

ID:	332012
PubChem CID:	127250298
Reduced:	O2N5C22H23 (1)
Stoich.:	A2B5C22D23 (1)
Weight, g/mol:	389.185175
ΔH_f, kcal/mol:	-2.0
Dipole, Da:	4.96
IP(EA), eV:	-8.77(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)C(=O)N)C

DOS

IR

Vibrations