Geometry & MOs

Info

ID:	170597
PubChem CID:	75258301
Reduced:	ON5H19C20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	118.53
Dipole, Da:	7.5
IP(EA), eV:	-9.68(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(3-methoxyphenyl)piperidine-1-carbonyl]anilino]acetic acid

Drug info:

PubChemData

Smile

C=CCC1CC=CC(N1C(=O)C2=CN3C(=NN=N3)C=C2)C4=CC=CC=C4

DOS

IR

Vibrations