Geometry & MOs

Info

ID:	125469
PubChem CID:	50925479
Reduced:	N4O4C7H10 (1)
Stoich.:	A4B4C7D10 (1)
Weight, g/mol:	289.048126
ΔH_f, kcal/mol:	-112.99
Dipole, Da:	5.12
IP(EA), eV:	-10.71(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol

Drug info:

PubChemData

Smile

C1=C(N(N=N1)CC[C@@H](C(=O)O)N)C(=O)O

DOS

IR

Vibrations