Geometry & MOs

Info

ID:	437018
PubChem CID:	135213737
Reduced:	NO2C11H19 (1)
Stoich.:	AB2C11D19 (1)
Weight, g/mol:	341.179993
ΔH_f, kcal/mol:	-100.61
Dipole, Da:	5.09
IP(EA), eV:	-9.59(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(4-ethyl-4-methylpiperazin-4-ium-1-yl)-2-methyl-5H-thieno[3,2-c][1,5]benzodiazepine

Drug info:

PubChemData

Smile

CCC(C)OC1=NC(=O)C(C1)(C)CC

DOS

IR

Vibrations