Geometry & MOs

Info

ID:	17417
PubChem CID:	497249
Reduced:	O5N6H18C23 (1)
Stoich.:	A5B6C18D23 (1)
Weight, g/mol:	458.133868
ΔH_f, kcal/mol:	-86.62
Dipole, Da:	15.27
IP(EA), eV:	-9.12(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-amino-9-(3,4-dimethoxyphenyl)-12-phenyl-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(14),3,8,10-tetraene-5,7,13-trione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C3C(=NC(=O)NC3=O)NC4=NC(=O)N(C(=C24)N)C5=CC=CC=C5)OC

DOS

IR

Vibrations