Geometry & MOs

Info

ID:	137967
PubChem CID:	52292672
Reduced:	FN3O4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	402.217952
ΔH_f, kcal/mol:	-156.94
Dipole, Da:	5.78
IP(EA), eV:	-8.45(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2S)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]butanamide

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CC=CC=C1F)C(=O)[C@@H]2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations