Geometry & MOs

Info

ID:	445158
PubChem CID:	135264695
Reduced:	N5O5C14H31 (1)
Stoich.:	A5B5C14D31 (1)
Weight, g/mol:	238.146999
ΔH_f, kcal/mol:	-88.55
Dipole, Da:	3.29
IP(EA), eV:	-9.44(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-methyl-3-phenyl-4,5-diazatricyclo[6.2.1.02,7]undeca-2,5-diene

Drug info:

PubChemData

Smile

COC(CCOCCOOCCOCCN=[N+]=[N-])NCCCCN

DOS

IR

Vibrations