Geometry & MOs

Info

ID:	236608
PubChem CID:	92714226
Reduced:	O2F3N3H18C22 (1)
Stoich.:	A2B3C3D18E22 (1)
Weight, g/mol:	154.146999
ΔH_f, kcal/mol:	-148.24
Dipole, Da:	4.78
IP(EA), eV:	-8.98(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10aS)-1,2,3,4,5,6,8,9,10,10a-decahydropyrrolo[1,2-a][1,4]diazocine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2[C@@H](C3=C(C2=O)C=CC=N3)NC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations