Geometry & MOs

Info

ID:	291261
PubChem CID:	111978331
Reduced:	IN6C19H23 (1)
Stoich.:	AB6C19D23 (1)
Weight, g/mol:	334.190595
ΔH_f, kcal/mol:	99.51
Dipole, Da:	8.13
IP(EA), eV:	-9.24(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=CC2=CC=CC=C21)NC3CCC4=NC=NN4C3.I

DOS

IR

Vibrations