Geometry & MOs

Info

ID:	366925
PubChem CID:	127321902
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	397.182398
ΔH_f, kcal/mol:	-92.69
Dipole, Da:	7.88
IP(EA), eV:	-9.13(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azaspiro[5.5]undec-9-en-2-yl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

C1CC2(CCC=CC2)CN(C1)C(=O)CN3C(=O)C=CN(C3=O)CC4=CC=CC=C4

DOS

IR

Vibrations