Geometry & MOs

Info

ID:	331978
PubChem CID:	127250264
Reduced:	ON2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	449.222703
ΔH_f, kcal/mol:	4.6
Dipole, Da:	2.02
IP(EA), eV:	-8.67(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CC2=CN=C(C=C2)C3CN(CCO3)CC4=C(N=CC=C4)N(C)C

DOS

IR

Vibrations