Geometry & MOs

Info

ID:	320341
PubChem CID:	126659581
Reduced:	NO4C24H25 (1)
Stoich.:	AB4C24D25 (1)
Weight, g/mol:	448.23262
ΔH_f, kcal/mol:	-74.69
Dipole, Da:	3.93
IP(EA), eV:	-9.17(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=C(C(=NO4)C)C(C)O

DOS

IR

Vibrations