Geometry & MOs

Info

ID:	378962
PubChem CID:	134228568
Reduced:	O3N4C12H16 (1)
Stoich.:	A3B4C12D16 (1)
Weight, g/mol:	348.216141
ΔH_f, kcal/mol:	-45.12
Dipole, Da:	2.67
IP(EA), eV:	-9.21(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-hexan-2-yl-2-methoxyphenyl)-4-(2-hydroxy-2-methylpropyl)tetrazol-5-one

Drug info:

PubChemData

Smile

CC(C)(CN1C(=O)N(N=N1)C2=CC=CC=C2OC)O

DOS

IR

Vibrations