Geometry & MOs

Info

ID:	396060
PubChem CID:	135027331
Reduced:	NCl2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	301.117489
ΔH_f, kcal/mol:	6.05
Dipole, Da:	2.3
IP(EA), eV:	-9.53(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(1,3-dimethyl-2-oxoindol-3-yl)methyl]tetrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(C=CC(=C2)Cl)C(=C1)Cl

DOS

IR

Vibrations