Geometry & MOs

Info

ID:	331902
PubChem CID:	127250188
Reduced:	O2N5C25H31 (1)
Stoich.:	A2B5C25D31 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	11.79
Dipole, Da:	1.55
IP(EA), eV:	-8.5(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[5-[(2,5-dimethoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations