Geometry & MOs

Info

ID:	333054
PubChem CID:	127251478
Reduced:	ClON5C24H28 (1)
Stoich.:	ABC5D24E28 (1)
Weight, g/mol:	437.198238
ΔH_f, kcal/mol:	34.56
Dipole, Da:	3.9
IP(EA), eV:	-8.74(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[4-[(3-chlorophenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC3=CN=C(N=C3)N(C)C)CC4=CC=CC=C4Cl

DOS

IR

Vibrations