Geometry & MOs

Info

ID:	16163
PubChem CID:	460376
Reduced:	O3N5H13C14 (1)
Stoich.:	A3B5C13D14 (1)
Weight, g/mol:	299.101839
ΔH_f, kcal/mol:	39.13
Dipole, Da:	6.17
IP(EA), eV:	-9.24(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-10-methyl-13-nitro-2,4,10,12-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-one

Drug info:

PubChemData

Smile

CCN1C2=C(N=C(C=C2)[N+](=O)[O-])N(C(=O)C3=C1N=CC=C3)C

DOS

IR

Vibrations