Geometry & MOs

Info

ID:	421458
PubChem CID:	135116042
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	-24.53
Dipole, Da:	6.17
IP(EA), eV:	-9.08(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-aminopyrimidin-2-yl)-11-benzyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CN=C(C=C1)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations