Geometry & MOs

Info

ID:	414876
PubChem CID:	135087848
Reduced:	FO2N3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	410.243024
ΔH_f, kcal/mol:	-84.19
Dipole, Da:	2.31
IP(EA), eV:	-9.07(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-11-(pyridin-2-ylmethyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)CC2=CC(=C(C=C2)F)OC

DOS

IR

Vibrations