Geometry & MOs

Info

ID:	332315
PubChem CID:	127250601
Reduced:	O4N5C22H25 (1)
Stoich.:	A4B5C22D25 (1)
Weight, g/mol:	444.227374
ΔH_f, kcal/mol:	-58.61
Dipole, Da:	7.33
IP(EA), eV:	-8.86(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[4-[(1-ethyl-5-methoxyindol-3-yl)methyl]morpholin-2-yl]pyridin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CN2CCOC(C2)C3=CC=CC(=N3)C4=CNN=C4)OCC(=O)N

DOS

IR

Vibrations