Geometry & MOs

Info

ID:	194449
PubChem CID:	78538346
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-195.0
Dipole, Da:	6.84
IP(EA), eV:	-8.76(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C=CC2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations