Geometry & MOs

Info

ID:	419546
PubChem CID:	135108402
Reduced:	NF2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-226.28
Dipole, Da:	7.34
IP(EA), eV:	-9.88(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N,5-trimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)CNC(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O)F

DOS

IR

Vibrations