Geometry & MOs

Info

ID:	368471
PubChem CID:	127328964
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-0.77
Dipole, Da:	7.02
IP(EA), eV:	-9.24(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-1-methyl-3-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CCCN2C(=O)NCC3CCC4=NN=C(N4C3)C

DOS

IR

Vibrations