Geometry & MOs

Info

ID:	333050
PubChem CID:	127251474
Reduced:	ON5C25H31 (1)
Stoich.:	AB5C25D31 (1)
Weight, g/mol:	417.252861
ΔH_f, kcal/mol:	39.55
Dipole, Da:	2.32
IP(EA), eV:	-8.56(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CC(=NC(=C2)C)C3CN(CCO3)CC4=CN=C(N=C4)N(C)C

DOS

IR

Vibrations