Geometry & MOs

Info

ID:	306916
PubChem CID:	125264326
Reduced:	O2N5C15H25 (1)
Stoich.:	A2B5C15D25 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-43.35
Dipole, Da:	4.17
IP(EA), eV:	-8.63(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aS,6aR)-4-(1,3-benzodioxol-5-ylmethyl)-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2C[C@H]([C@H]3[C@H]2CCCO3)NC(=O)N(C)C

DOS

IR

Vibrations