Geometry & MOs

Info

ID:	38121
PubChem CID:	8027172
Reduced:	ClO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	275.101839
ΔH_f, kcal/mol:	-85.24
Dipole, Da:	1.94
IP(EA), eV:	-9.49(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3,4,5-trimethoxyphenyl)tetrazol-2-yl]acetonitrile

Drug info:

PubChemData

Smile

COC(=O)CCC1=CC=C(C=C1)Cl

DOS

IR

Vibrations