Geometry & MOs

Info

ID:	192729
PubChem CID:	78305717
Reduced:	N3O3C25H25 (1)
Stoich.:	A3B3C25D25 (1)
Weight, g/mol:	376.153541
ΔH_f, kcal/mol:	-65.44
Dipole, Da:	6.26
IP(EA), eV:	-9.12(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(3-methoxyphenyl)-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

CCN1C2C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)C(C)C)C(=O)NC1=O

DOS

IR

Vibrations