Geometry & MOs

Info

ID:	306796
PubChem CID:	125240982
Reduced:	N2O4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-144.52
Dipole, Da:	4.49
IP(EA), eV:	-8.58(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,8aR)-5-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid

Drug info:

PubChemData

Smile

COCCNC(=O)C[C@@H]1COC[C@H]2[C@@H]1CN(C2)CC3=CC=CO3

DOS

IR

Vibrations