Geometry & MOs

Info

ID:	198931
PubChem CID:	79174403
Reduced:	F2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	279.231063
ΔH_f, kcal/mol:	-63.15
Dipole, Da:	1.61
IP(EA), eV:	-8.08(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(aminomethyl)cyclohexyl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C2CCC1CN(CC2)C3=C(C=C(C=C3F)CN)F

DOS

IR

Vibrations