Geometry & MOs

Info

ID:	332981
PubChem CID:	127251405
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	444.227374
ΔH_f, kcal/mol:	-45.43
Dipole, Da:	4.83
IP(EA), eV:	-8.73(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(2-aminopyrimidin-5-yl)-6-methylpyridin-2-yl]morpholin-4-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C(C)(C)C3=CC=C(C=C3)OC)C4=CN=C(N=C4)N

DOS

IR

Vibrations