Geometry & MOs

Info

ID:	331349
PubChem CID:	127248756
Reduced:	FO2N5C24H32 (1)
Stoich.:	AB2C5D24E32 (1)
Weight, g/mol:	436.222289
ΔH_f, kcal/mol:	-79.55
Dipole, Da:	5.2
IP(EA), eV:	-8.74(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(2,3-dimethoxyphenyl)methyl]morpholin-2-yl]-N,N-dimethyl-5-pyrimidin-5-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CN2CCOC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)F)N(C)C

DOS

IR

Vibrations