Geometry & MOs

Info

ID:	348661
PubChem CID:	127273772
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	353.171256
ΔH_f, kcal/mol:	-28.28
Dipole, Da:	2.93
IP(EA), eV:	-9.52(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)NC3CCCC3

DOS

IR

Vibrations