Geometry & MOs

Info

ID:	295482
PubChem CID:	117530514
Reduced:	O4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	235.106925
ΔH_f, kcal/mol:	-175.18
Dipole, Da:	6.37
IP(EA), eV:	-8.89(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)CC(C)(C(=O)O)O)OC

DOS

IR

Vibrations