Geometry & MOs

Info

ID:	76180
PubChem CID:	48424553
Reduced:	N2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	392.151826
ΔH_f, kcal/mol:	-152.51
Dipole, Da:	6.5
IP(EA), eV:	-8.78(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC=CC(=C1C)NC(=O)C(C)OCC2CC2

DOS

IR

Vibrations