Geometry & MOs

Info

ID:	367312
PubChem CID:	127324091
Reduced:	ON8C16H24 (1)
Stoich.:	AB8C16D24 (1)
Weight, g/mol:	304.201159
ΔH_f, kcal/mol:	22.46
Dipole, Da:	5.2
IP(EA), eV:	-9.54(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NCC3=NN=C4N3CCCC4

DOS

IR

Vibrations