Geometry & MOs

Info

ID:	331456
PubChem CID:	127248863
Reduced:	O3N6C22H30 (1)
Stoich.:	A3B6C22D30 (1)
Weight, g/mol:	434.206639
ΔH_f, kcal/mol:	-70.43
Dipole, Da:	4.75
IP(EA), eV:	-8.86(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]morpholin-4-yl]-(2-methoxy-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)CC3(CCCCC3)O)C4=CN=CN=C4

DOS

IR

Vibrations