Geometry & MOs

Info

ID:	399826
PubChem CID:	135042964
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	252.162649
ΔH_f, kcal/mol:	-88.33
Dipole, Da:	3.07
IP(EA), eV:	-9.17(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4,6,8,15-pentaene

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC=C1N=NC(=O)OC(C)(C)C

DOS

IR

Vibrations