Geometry & MOs

Info

ID:	28258
PubChem CID:	826610
Reduced:	O4H20C21 (1)
Stoich.:	A4B20C21 (1)
Weight, g/mol:	295.114319
ΔH_f, kcal/mol:	-139.91
Dipole, Da:	6.76
IP(EA), eV:	-9.44(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(11R)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-4,5-dihydro-1H-imidazol-2-amine

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@H]1[C@@H](C2C3=CC=CC=C3C1C4=CC=CC=C24)C(=O)O

DOS

IR

Vibrations