Geometry & MOs

Info

ID:	297071
PubChem CID:	117607580
Reduced:	SN3O7H23C25 (1)
Stoich.:	AB3C7D23E25 (1)
Weight, g/mol:	472.244996
ΔH_f, kcal/mol:	-155.31
Dipole, Da:	7.65
IP(EA), eV:	-9.34(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(dipropylamino)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=C(C4=C3N(C(=O)O4)CC5=CC(=CC=C5)S(=O)(=O)C)CO)OC

DOS

IR

Vibrations