Geometry & MOs

Info

ID:	204085
PubChem CID:	79908781
Reduced:	OSN4C14H24 (1)
Stoich.:	ABC4D14E24 (1)
Weight, g/mol:	232.193949
ΔH_f, kcal/mol:	-19.18
Dipole, Da:	6.54
IP(EA), eV:	-8.4(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine

Drug info:

PubChemData

Smile

CC(C)C1=C(N=NN1C2CCOC3(C2)CCSCC3)N

DOS

IR

Vibrations