Geometry & MOs

Info

ID:	31238
PubChem CID:	855303
Reduced:	N2O2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	307.090309
ΔH_f, kcal/mol:	-55.64
Dipole, Da:	6.19
IP(EA), eV:	-8.89(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations