Geometry & MOs

Info

ID:	252507
PubChem CID:	103111836
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	285.097423
ΔH_f, kcal/mol:	-89.62
Dipole, Da:	6.44
IP(EA), eV:	-9.21(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine

Drug info:

PubChemData

Smile

CC1=C(N=NN1CCN2CCCCC2)C(=O)OCCOC

DOS

IR

Vibrations