Geometry & MOs

Info

ID:	28266
PubChem CID:	826648
Reduced:	ClSN2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	294.173213
ΔH_f, kcal/mol:	50.64
Dipole, Da:	2.88
IP(EA), eV:	-8.64(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]-4-methylpiperazine

Drug info:

PubChemData

Smile

C1CN(CCN1)[C@H]2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

DOS

IR

Vibrations