Geometry & MOs

Info

ID:	309804
PubChem CID:	126559892
Reduced:	NO2H19C20 (1)
Stoich.:	AB2C19D20 (1)
Weight, g/mol:	246.148061
ΔH_f, kcal/mol:	2.89
Dipole, Da:	5.78
IP(EA), eV:	-8.67(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3,5-dimethylphenyl)tetrazol-1-yl]-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

CC(=C1C2=CC=CC=C2C3=C1C=C(C=C3)/C(=N/OC(=O)C)/C)C

DOS

IR

Vibrations