Geometry & MOs

Info

ID:	341055
PubChem CID:	127263490
Reduced:	BrN2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	333.12957
ΔH_f, kcal/mol:	-113.56
Dipole, Da:	4.35
IP(EA), eV:	-9.51(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-9-fluoro-3a-methyl-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrole;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)OC(C2=CC=CC=C2)C3=NC(=CC=C3)Br

DOS

IR

Vibrations