Geometry & MOs

Info

ID:	390201
PubChem CID:	134997715
Reduced:	ON2C22H28 (1)
Stoich.:	AB2C22D28 (1)
Weight, g/mol:	341.181336
ΔH_f, kcal/mol:	-17.74
Dipole, Da:	2.56
IP(EA), eV:	-8.01(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,8aR)-3a-benzyl-5-tert-butyl-8,8-dimethyl-8aH-thieno[3,2-c]azepin-4-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C[C@H]1C[C@@H](N(C2=CC=CC=C12)C)C3=CC=CC=C3

DOS

IR

Vibrations