Geometry & MOs

Info

ID:	160392
PubChem CID:	57309740
Reduced:	O2C5H6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	248.131349
ΔH_f, kcal/mol:	-163.98
Dipole, Da:	2.64
IP(EA), eV:	-9.71(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-phenyl-1H-2,4-benzodiazepine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(C(=O)O)O)O

DOS

IR

Vibrations