Geometry & MOs

Info

ID:	420909
PubChem CID:	135115027
Reduced:	O3N5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-31.5
Dipole, Da:	2.32
IP(EA), eV:	-9.24(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(2-anilino-2-oxoethyl)-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)CN(C)C(=O)CCC2=NC3=CC=CC=C3N=C2OC

DOS

IR

Vibrations