Geometry & MOs

Info

ID:	923
PubChem CID:	3538
Reduced:	O2N3H15C17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	293.116427
ΔH_f, kcal/mol:	18.68
Dipole, Da:	4.23
IP(EA), eV:	-8.37(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)aniline

Drug info:

PubChemData

Smile

CC1=NN=C(C2=CC3=C(C=C2C1)OCO3)C4=CC=C(C=C4)N

DOS

IR

Vibrations