Geometry & MOs

Info

ID:	333049
PubChem CID:	127251473
Reduced:	ON5C24H29 (1)
Stoich.:	AB5C24D29 (1)
Weight, g/mol:	417.252861
ΔH_f, kcal/mol:	44.94
Dipole, Da:	3.37
IP(EA), eV:	-8.66(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-5-[[2-[6-methyl-4-[(4-methylphenyl)methyl]pyridin-2-yl]morpholin-4-yl]methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC3=CN=C(N=C3)N(C)C)CC4=CC=CC=C4

DOS

IR

Vibrations