Geometry & MOs

Info

ID:	308514
PubChem CID:	125333331
Reduced:	ON6H20C21 (1)
Stoich.:	AB6C20D21 (1)
Weight, g/mol:	365.093104
ΔH_f, kcal/mol:	125.55
Dipole, Da:	2.47
IP(EA), eV:	-8.93(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-4-(3-chlorophenyl)-2-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-9,11,13,15-tetraene-3,5-dione

Drug info:

PubChemData

Smile

C1C[C@H]([C@H]2C(=C3C=CC=CC3=N2)C1)NC(=O)[C@H](C4=CC=CC=C4)N5C=NN=N5

DOS

IR

Vibrations