Geometry & MOs

Info

ID:	311239
PubChem CID:	126590009
Reduced:	BrN2O3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	372.147393
ΔH_f, kcal/mol:	-21.43
Dipole, Da:	2.48
IP(EA), eV:	-9.03(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6S,7S)-4-phenyl-11-(2-phenylethyl)-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)C2C(N(C(C2C=O)C=O)CC3=CC=C(C=C3)Br)C=C

DOS

IR

Vibrations