Geometry & MOs

Info

ID:	244001
PubChem CID:	99309169
Reduced:	N2O3C24H36 (1)
Stoich.:	A2B3C24D36 (1)
Weight, g/mol:	389.267842
ΔH_f, kcal/mol:	-114.24
Dipole, Da:	2.8
IP(EA), eV:	-8.28(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aS)-2-[2-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C/C(=O)N2CCC[C@@H](C2)CN3CCC(CC3)C)OC

DOS

IR

Vibrations