Geometry & MOs

Info

ID:	320335
PubChem CID:	126659560
Reduced:	NO3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	380.246378
ΔH_f, kcal/mol:	-118.77
Dipole, Da:	0.87
IP(EA), eV:	-9.12(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-6-methyl-4-(4-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CCOC(=O)C(C[C@@H](C(C)(C)C1=CC=C(C=C1)C2=CC=CC=C2)N)CO

DOS

IR

Vibrations