Geometry & MOs

Info

ID:	186825
PubChem CID:	77490958
Reduced:	N2O2C29H38 (1)
Stoich.:	A2B2C29D38 (1)
Weight, g/mol:	431.190358
ΔH_f, kcal/mol:	-32.64
Dipole, Da:	2.75
IP(EA), eV:	-8.5(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-[1-(2-fluorophenyl)tetrazol-5-yl]piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)OCCN(C)C)C2C=CC=CC2C3CCC4=C(C3)C=CC(=C4)O

DOS

IR

Vibrations