Geometry & MOs

Info

ID:	420728
PubChem CID:	135114726
Reduced:	ON2C20H26 (1)
Stoich.:	AB2C20D26 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-9.51
Dipole, Da:	2.27
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(aminomethyl)-1,3-oxazol-4-yl]-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)CC3=CC4=C(C=C3)N=CC=C4

DOS

IR

Vibrations