Geometry & MOs

Info

ID:	322341
PubChem CID:	126669841
Reduced:	N5O6C28H33 (1)
Stoich.:	A5B6C28D33 (1)
Weight, g/mol:	395.303559
ΔH_f, kcal/mol:	-118.4
Dipole, Da:	5.19
IP(EA), eV:	-9.55(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methoxy-4-(2,5,6-trimethylheptan-2-yl)-1-oxaspiro[2.5]octan-6-yl] pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)OC2=C(C=CC(=C2)C3=CN=C(N3)[C@@H]4CCCN4C(=O)[C@H](C(C)C)NC(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations