Geometry & MOs

Info

ID:	441844
PubChem CID:	135245803
Reduced:	NO2C7H13 (1)
Stoich.:	AB2C7D13 (1)
Weight, g/mol:	487.143151
ΔH_f, kcal/mol:	-55.75
Dipole, Da:	1.73
IP(EA), eV:	-8.24(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorocyclohexa-1,5-dien-1-yl)-1,1-difluoro-1-[4-[2-(4-fluorophenyl)ethynyl]-2H-azepin-7-yl]-3-(tetrazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

C/C(=C(\C)/N)/C1C(O1)OC

DOS

IR

Vibrations