Geometry & MOs

Info

ID:	416977
PubChem CID:	135090948
Reduced:	ON3C9H11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-23.21
Dipole, Da:	1.32
IP(EA), eV:	-9.17(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-propan-2-ylpyrazol-4-yl)methyl]-11-(pyridin-2-ylmethyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NC(=N2)N)C(=O)N3C[C@H]([C@@H](C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations