Geometry & MOs

Info

ID:	193537
PubChem CID:	78404569
Reduced:	ClO3N4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	293.12766
ΔH_f, kcal/mol:	36.67
Dipole, Da:	5.53
IP(EA), eV:	-9.71(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-methoxyphenyl)tetrazolidin-5-ylidene]indole

Drug info:

PubChemData

Smile

C1C(C2C(NNC2=NC1=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations