Geometry & MOs

Info

ID:	333048
PubChem CID:	127251472
Reduced:	ClO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	403.237211
ΔH_f, kcal/mol:	-21.22
Dipole, Da:	4.91
IP(EA), eV:	-9.16(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=C(N(N=C3)C)C)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations