Geometry & MOs

Info

ID:	190036
PubChem CID:	77944061
Reduced:	NO2C21H39 (1)
Stoich.:	AB2C21D39 (1)
Weight, g/mol:	240.162649
ΔH_f, kcal/mol:	-146.46
Dipole, Da:	3.85
IP(EA), eV:	-8.67(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,8,9-trimethyl-7,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepine

Drug info:

PubChemData

Smile

CCCCCCCN(C)C1CCCC2=C(C(CCC12C)O)CCO

DOS

IR

Vibrations