Geometry & MOs

Info

ID:	340862
PubChem CID:	127263297
Reduced:	ClNSC6H10 (1)
Stoich.:	ABCD6E10 (1)
Weight, g/mol:	253.05936
ΔH_f, kcal/mol:	-26.09
Dipole, Da:	2.22
IP(EA), eV:	-8.2(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepine;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)N.Cl

DOS

IR

Vibrations