Geometry & MOs

Info

ID:	310003
PubChem CID:	126572623
Reduced:	O2N5H15C17 (1)
Stoich.:	A2B5C15D17 (1)
Weight, g/mol:	320.163711
ΔH_f, kcal/mol:	45.11
Dipole, Da:	4.95
IP(EA), eV:	-8.82(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)O)N/C=C\C2=NN=NN2C3=CC=CC=C3

DOS

IR

Vibrations