Geometry & MOs

Info

ID:	192728
PubChem CID:	78305256
Reduced:	O4N5C20H25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	415.189592
ΔH_f, kcal/mol:	-97.32
Dipole, Da:	5.87
IP(EA), eV:	-8.64(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-2-(4-propan-2-ylphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione

Drug info:

PubChemData

Smile

CC1=CN2C3C(N=C2N1CC4=CC=C(C=C4)OC)N(C(=O)N(C3=O)CCCO)C

DOS

IR

Vibrations