Geometry & MOs

Info

ID:	359113
PubChem CID:	127297358
Reduced:	ON7C17H25 (1)
Stoich.:	AB7C17D25 (1)
Weight, g/mol:	391.167811
ΔH_f, kcal/mol:	40.2
Dipole, Da:	7.31
IP(EA), eV:	-9.1(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclobutylmethyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC2=NC=NN2C(=C1)N3CCN(CC3)CC(=O)NCC4CCC4

DOS

IR

Vibrations