Geometry & MOs

Info

ID:	233487
PubChem CID:	90944848
Reduced:	FN9C27H34 (1)
Stoich.:	AB9C27D34 (1)
Weight, g/mol:	212.133178
ΔH_f, kcal/mol:	65.88
Dipole, Da:	2.2
IP(EA), eV:	-8.17(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1,5,7-trimethyltricyclo[5.2.1.03,9]decane

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NCC6=CC=CN6)F)N

DOS

IR

Vibrations