Geometry & MOs

Info

ID:	201209
PubChem CID:	79506172
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	194.102842
ΔH_f, kcal/mol:	-115.25
Dipole, Da:	4.04
IP(EA), eV:	-9.2(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]tetrazol-5-amine

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)C2CC2

DOS

IR

Vibrations