Geometry & MOs

Info

ID:	336047
PubChem CID:	127255054
Reduced:	O3N5C22H31 (1)
Stoich.:	A3B5C22D31 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	-54.11
Dipole, Da:	7.83
IP(EA), eV:	-9.1(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyrrol-1-yl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]hexan-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2CCCN2C(=O)CC3(CCCCC3)CN4C=NN=N4)OC

DOS

IR

Vibrations