Geometry & MOs

Info

ID:	22171
PubChem CID:	596149
Reduced:	O3N5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	275.101839
ΔH_f, kcal/mol:	-78.97
Dipole, Da:	4.75
IP(EA), eV:	-9.14(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-4-ethyl-10,12-dimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1,4,6,8-tetraene-11,13-dione

Drug info:

PubChemData

Smile

CCC1=NC2=C(N=C3C(=C2O1)C(=O)N(C(=O)N3C)C)N

DOS

IR

Vibrations