Geometry & MOs

Info

ID:	331357
PubChem CID:	127248764
Reduced:	O3N6C22H24 (1)
Stoich.:	A3B6C22D24 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	0.78
Dipole, Da:	4.72
IP(EA), eV:	-8.45(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)C3=NC=CN=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations