Geometry & MOs

Info

ID:	333126
PubChem CID:	127251674
Reduced:	ON3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	3.91
Dipole, Da:	1.22
IP(EA), eV:	-8.69(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2=CC(=NC(=C2)C)C3CN(CCO3)CC4=CN=C(N=C4)CCOC

DOS

IR

Vibrations