Geometry & MOs

Info

ID:	148865
PubChem CID:	53788535
Reduced:	O6C25H38 (1)
Stoich.:	A6B25C38 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-263.62
Dipole, Da:	3.9
IP(EA), eV:	-9.19(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3R)-1-(3-piperidin-4-ylprop-2-enoyl)piperidine-3-carbonyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC(C)OC(=O)CCCC=CC[C@@H]1[C@H](C(CC1O)O)C=CC(CCC2=CC=CO2)OC

DOS

IR

Vibrations