Geometry & MOs

Info

ID:	332075
PubChem CID:	127250361
Reduced:	ClO3N4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	444.227374
ΔH_f, kcal/mol:	-38.61
Dipole, Da:	4.42
IP(EA), eV:	-9.34(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(2-aminopyrimidin-5-yl)pyridin-2-yl]morpholin-4-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C=C1)CC(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations