Geometry & MOs

Info

ID:	333904
PubChem CID:	127252456
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	-97.84
Dipole, Da:	3.15
IP(EA), eV:	-8.61(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aS,8aS)-3a-methyl-2-phenyl-1-propan-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[3,2-b]azepin-5-one

Drug info:

PubChemData

Smile

CN1CCCCC[C@@H]2[C@@H]1C[C@H](N2C(=O)CN3C(=O)CNC3=O)CC4=CC=CC=C4

DOS

IR

Vibrations