Geometry & MOs

Info

ID:	28355
PubChem CID:	827176
Reduced:	NOC11H17 (1)
Stoich.:	ABC11D17 (1)
Weight, g/mol:	255.071785
ΔH_f, kcal/mol:	-34.71
Dipole, Da:	2.3
IP(EA), eV:	-8.51(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11R)-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=C(C=C1)O)N(C)C

DOS

IR

Vibrations