Geometry & MOs

Info

ID:	332164
PubChem CID:	127250450
Reduced:	ClO2N5C23H24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	446.206639
ΔH_f, kcal/mol:	1.55
Dipole, Da:	5.27
IP(EA), eV:	-8.95(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-[2-(dimethylamino)-6-methylpyrimidine-4-carbonyl]morpholin-2-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations