Geometry & MOs

Info

ID:	327759
PubChem CID:	126690987
Reduced:	FON3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	403.283492
ΔH_f, kcal/mol:	-62.84
Dipole, Da:	1.67
IP(EA), eV:	-8.29(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[[(1S,9R,13S)-4-hydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]amino]butyl]carbamate

Drug info:

PubChemData

Smile

C1CN(CCN1)CC2=C(C=C(C=C2)N3CCOCC3)CF

DOS

IR

Vibrations