Geometry & MOs

Info

ID:	42938
PubChem CID:	10317262
Reduced:	BrON3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	374.115424
ΔH_f, kcal/mol:	-12.77
Dipole, Da:	6.64
IP(EA), eV:	-8.37(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,10,13-trimethoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),4,9,11,13,15,17,19-octaene-3,6-dione

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(N=C2CCCC2=C1)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations