Geometry & MOs

Info

ID:	333893
PubChem CID:	127252445
Reduced:	NO2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	304.215078
ΔH_f, kcal/mol:	-176.92
Dipole, Da:	3.63
IP(EA), eV:	-9.4(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,8aR)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3,3a,4,5,6,7,8,8a-octahydro-2H-pyrrolo[3,2-b]azepine

Drug info:

PubChemData

Smile

CCN([C@H]1C[C@H](OC2(C1)CCN(CC2)C(=O)C)C3=CC=CC=C3)C(=O)COC

DOS

IR

Vibrations