Geometry & MOs

Info

ID:	150542
PubChem CID:	53790235
Reduced:	O4C21H32 (1)
Stoich.:	A4B21C32 (1)
Weight, g/mol:	317.12766
ΔH_f, kcal/mol:	-179.78
Dipole, Da:	6.77
IP(EA), eV:	-8.54(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-nitroso-7-phenyl-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine

Drug info:

PubChemData

Smile

CCCCC(C)OC1=C(C=C(C=C1)C=CC(=O)O)OC(C)CCCC

DOS

IR

Vibrations