Geometry & MOs

Info

ID:	127676
PubChem CID:	51010752
Reduced:	O2C8H13 (2)
Stoich.:	A2B8C13 (2)
Weight, g/mol:	480.203605
ΔH_f, kcal/mol:	-193.3
Dipole, Da:	1.49
IP(EA), eV:	-9.59(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,3S,5R,6S)-2-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methylamino]-3-fluoro-1-phenyl-8-azabicyclo[3.2.1]octan-6-yl]methanol

Drug info:

PubChemData

Smile

CC1(OC[C@@]2(O1)CC[C@]3(C[C@@H]2C(=C)C3)COCOC)C

DOS

IR

Vibrations