Geometry & MOs

Info

ID:	237976
PubChem CID:	92723340
Reduced:	ON4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	322.135114
ΔH_f, kcal/mol:	29.79
Dipole, Da:	7.48
IP(EA), eV:	-9.14(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3S)-3-methylpiperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C2=C3C(=NOC3=NC=N2)C)C

DOS

IR

Vibrations