Geometry & MOs

Info

ID:	28982
PubChem CID:	830980
Reduced:	NO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	204.064726
ΔH_f, kcal/mol:	-140.35
Dipole, Da:	5.36
IP(EA), eV:	-9.02(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(tetrazol-1-yl)benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C2[C@@H]1C3=CC=CC=C3OC2=O)C)C

DOS

IR

Vibrations