Geometry & MOs

Info

ID:	320357
PubChem CID:	126659755
Reduced:	N2O3C25H32 (1)
Stoich.:	A2B3C25D32 (1)
Weight, g/mol:	374.179442
ΔH_f, kcal/mol:	-100.82
Dipole, Da:	5.97
IP(EA), eV:	-8.38(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(4-fluorophenyl)methyl]-6-methyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]ethanol

Drug info:

PubChemData

Smile

CC1CN(C2=NC(=C(C(=C12)C3=CC=C(C=C3)C)[C@@H](C(=O)O)OC(C)(C)C)C)C4CC4

DOS

IR

Vibrations