Geometry & MOs

Info

ID:	320903
PubChem CID:	126664224
Reduced:	F3O4N6C23H23 (1)
Stoich.:	A3B4C6D23E23 (1)
Weight, g/mol:	323.188529
ΔH_f, kcal/mol:	-219.43
Dipole, Da:	9.05
IP(EA), eV:	-9.14(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6R)-6-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxycyclohexen-1-ol

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1C[C@H]([C@@H](C1)O)NC2=NC=NC3=NNC(=C32)C(=O)N4C[C@H](C[C@@H]4C5=C(C=CC(=C5)F)F)F

DOS

IR

Vibrations