Geometry & MOs

Info

ID:	192730
PubChem CID:	78305747
Reduced:	O3N4H20C21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	-32.26
Dipole, Da:	5.14
IP(EA), eV:	-8.63(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(2-prop-2-enoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,17-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2C3C(NC(NC3=O)N)NC4=C2C(=O)C5=CC=CC=C54

DOS

IR

Vibrations