Geometry & MOs

Info

ID:	208069
PubChem CID:	80490033
Reduced:	N5C10H13 (1)
Stoich.:	A5B10C13 (1)
Weight, g/mol:	191.08071
ΔH_f, kcal/mol:	83.13
Dipole, Da:	4.99
IP(EA), eV:	-9.01(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5-diamino-1,2,4-triazol-3-yl)phenol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(N2N)N)C

DOS

IR

Vibrations