Geometry & MOs

Info

ID:	332019
PubChem CID:	127250305
Reduced:	ClON4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	389.185175
ΔH_f, kcal/mol:	28.71
Dipole, Da:	2.48
IP(EA), eV:	-8.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations