Geometry & MOs

Info

ID:	40481
PubChem CID:	8144212
Reduced:	O2N3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	274.117824
ΔH_f, kcal/mol:	19.43
Dipole, Da:	7.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.288048
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(4-methylphenyl)hydrazinyl]-2-(tetrazol-5-ylidene)acetate

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH2+][C@@H](C3=CC=CC=C3)C4=CC=CO4

DOS

IR

Vibrations