Geometry & MOs

Info

ID:	415525
PubChem CID:	135088521
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	385.168936
ΔH_f, kcal/mol:	-92.8
Dipole, Da:	6.61
IP(EA), eV:	-8.99(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-[3-(4-fluorophenyl)propanoyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N3CCCC(C3)CN)C(=O)O

DOS

IR

Vibrations