Geometry & MOs

Info

ID:	64789
PubChem CID:	29204002
Reduced:	N2O5C27H36 (1)
Stoich.:	A2B5C27D36 (1)
Weight, g/mol:	372.204907
ΔH_f, kcal/mol:	-182.27
Dipole, Da:	3.79
IP(EA), eV:	-8.92(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R)-2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methyl-3-(nitromethyl)cyclopentan-1-one

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations