Geometry & MOs

Info

ID:	367330
PubChem CID:	127324219
Reduced:	ON8C19H26 (1)
Stoich.:	AB8C19D26 (1)
Weight, g/mol:	342.216809
ΔH_f, kcal/mol:	41.71
Dipole, Da:	4.55
IP(EA), eV:	-9.23(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC(C3=NN=C4N3C=CC=C4)C(C)C

DOS

IR

Vibrations