Geometry & MOs

Info

ID:	306708
PubChem CID:	125165408
Reduced:	FO2N3C26H34 (1)
Stoich.:	AB2C3D26E34 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	-98.29
Dipole, Da:	7.64
IP(EA), eV:	-8.91(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

C1C[C@@H](CC=C1)C(=O)N2CCC3(CC2)C[C@@H]3C(=O)N4CCN(CC4)CC5=CC(=CC=C5)F

DOS

IR

Vibrations