Geometry & MOs

Info

ID:	390291
PubChem CID:	134998327
Reduced:	N3H13C16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	213.076293
ΔH_f, kcal/mol:	108.86
Dipole, Da:	4.43
IP(EA), eV:	-9.26(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(2H-tetrazol-5-ylamino)benzenecarboximidoyl isocyanide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(N=CN=N2)C3=CC=CC=C3

DOS

IR

Vibrations