Geometry & MOs

Info

ID:	354527
PubChem CID:	127287141
Reduced:	O2N6C13H20 (1)
Stoich.:	A2B6C13D20 (1)
Weight, g/mol:	335.17461
ΔH_f, kcal/mol:	-57.5
Dipole, Da:	4.65
IP(EA), eV:	-9.72(0.26)
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-(naphthalen-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)N3CCC(=O)NCC3

DOS

IR

Vibrations