Geometry & MOs

Info

ID:	275541
PubChem CID:	103816547
Reduced:	BrION5H7C9 (1)
Stoich.:	ABCD5E7F9 (1)
Weight, g/mol:	234.086524
ΔH_f, kcal/mol:	95.24
Dipole, Da:	5.63
IP(EA), eV:	-9.77(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(2-methyltetrazol-5-yl)-2-oxopyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN1N=C(N=N1)NC(=O)C2=C(C=CC(=C2)Br)I

DOS

IR

Vibrations