Geometry & MOs

Info

ID:	331431
PubChem CID:	127248838
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-29.5
Dipole, Da:	3.04
IP(EA), eV:	-8.68(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)N(C)C)C

DOS

IR

Vibrations