Geometry & MOs

Info

ID:	39697
PubChem CID:	8141975
Reduced:	N2O5C24H30 (1)
Stoich.:	A2B5C24D30 (1)
Weight, g/mol:	407.173273
ΔH_f, kcal/mol:	-204.17
Dipole, Da:	7.04
IP(EA), eV:	-8.55(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)N3CCC[C@@H]3C4=CC5=C(C=C4)OCCCO5

DOS

IR

Vibrations