Geometry & MOs

Info

ID:	380578
PubChem CID:	134971063
Reduced:	ON2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	277.121512
ΔH_f, kcal/mol:	52.88
Dipole, Da:	4.16
IP(EA), eV:	-9.58(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-5-yl)-N-methylformamide

Drug info:

PubChemData

Smile

CCC1=C(N=NN1C(C2CC2)C(CC)[N+](=O)[O-])C3CC3

DOS

IR

Vibrations