Geometry & MOs

Info

ID:	28515
PubChem CID:	828032
Reduced:	O3N5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	274.159375
ΔH_f, kcal/mol:	45.55
Dipole, Da:	7.63
IP(EA), eV:	-8.54(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-N-(1,3,6-triazatricyclo[4.3.1.13,8]undecan-8-yl)methanimine

Drug info:

PubChemData

Smile

CN(C)N=CC1=NC=CN1CC2=CC(=C(C=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations