Geometry & MOs

Info

ID:	28235
PubChem CID:	826432
Reduced:	O2N5C9H15 (1)
Stoich.:	A2B5C9D15 (1)
Weight, g/mol:	289.069198
ΔH_f, kcal/mol:	-0.63
Dipole, Da:	2.41
IP(EA), eV:	-9.4(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-3-chloro-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepin-6-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)ON=C(C)C)OC

DOS

IR

Vibrations