Geometry & MOs

Info

ID:	333953
PubChem CID:	127252505
Reduced:	ON6C19H22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	55.15
Dipole, Da:	5.89
IP(EA), eV:	-8.68(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,4R,8S,9S)-2-benzyl-9-methyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]-(1,3-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1C[C@H]([C@@H]2[C@H]1CN(C2)C(=O)C3=CN=C(N=C3)C4CC4)NC5=NC=CN=C5

DOS

IR

Vibrations