Geometry & MOs

Info

ID:	233942
PubChem CID:	92252631
Reduced:	O3C14H16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	401.213698
ΔH_f, kcal/mol:	-127.22
Dipole, Da:	2.77
IP(EA), eV:	-9.56(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](C2=C3[C@H]1C[C@@H](C3=CC=C2)O)CC(=O)O

DOS

IR

Vibrations