Geometry & MOs

Info

ID:	346154
PubChem CID:	127270642
Reduced:	O2N7C20H27 (1)
Stoich.:	A2B7C20D27 (1)
Weight, g/mol:	399.238273
ΔH_f, kcal/mol:	26.95
Dipole, Da:	7.67
IP(EA), eV:	-9.0(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclopropylamino)-2-oxoethyl]-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2CCN(CC2)C(=O)NC(C3=NN=C4N3C=CC=C4)C(C)C

DOS

IR

Vibrations