Geometry & MOs

Info

ID:	331462
PubChem CID:	127248869
Reduced:	FON6C24H29 (1)
Stoich.:	ABC6D24E29 (1)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	4.92
Dipole, Da:	3.01
IP(EA), eV:	-8.78(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(C=N1)CN2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)N(C)C

DOS

IR

Vibrations