Geometry & MOs

Info

ID:	302379
PubChem CID:	124361529
Reduced:	N4O7C18H30 (1)
Stoich.:	A4B7C18D30 (1)
Weight, g/mol:	353.235479
ΔH_f, kcal/mol:	-355.52
Dipole, Da:	3.72
IP(EA), eV:	-9.59(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aS,5R,8aR,9aS)-3-[[benzyl(methyl)amino]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](CC(=O)N)C(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations