Geometry & MOs

Info

ID:	276248
PubChem CID:	103821706
Reduced:	N2O3C17H28 (1)
Stoich.:	A2B3C17D28 (1)
Weight, g/mol:	318.180424
ΔH_f, kcal/mol:	-147.5
Dipole, Da:	3.87
IP(EA), eV:	-7.83(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[3-(tetrazol-1-yl)anilino]propyl]carbamate

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1NCCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations