Geometry & MOs

Info

ID:	332145
PubChem CID:	127250431
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	435.207053
ΔH_f, kcal/mol:	-52.17
Dipole, Da:	5.17
IP(EA), eV:	-9.09(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-[2-[5-(2-fluorophenyl)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(C1)C(=O)CN2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations