Geometry & MOs

Info

ID:	324166
PubChem CID:	126677056
Reduced:	N7C17H19 (1)
Stoich.:	A7B17C19 (1)
Weight, g/mol:	392.192292
ΔH_f, kcal/mol:	148.06
Dipole, Da:	2.73
IP(EA), eV:	-8.42(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(1R,2S,8S)-2-hydroxy-4-(3,3,3-trifluoropropanoyl)-4-azatricyclo[4.3.1.03,8]decan-9-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CN1C2=C(N1)N=C(C=C2CC3=CN(N=C3)CC4=CC(=CC=C4)N)N

DOS

IR

Vibrations