Geometry & MOs

Info

ID:	291259
PubChem CID:	111978323
Reduced:	IN6C20H25 (1)
Stoich.:	AB6C20D25 (1)
Weight, g/mol:	340.237545
ΔH_f, kcal/mol:	96.22
Dipole, Da:	7.7
IP(EA), eV:	-8.79(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations