Geometry & MOs

Info

ID:	418037
PubChem CID:	135103361
Reduced:	SN2O5C15H22 (1)
Stoich.:	AB2C5D15E22 (1)
Weight, g/mol:	358.198046
ΔH_f, kcal/mol:	-194.1
Dipole, Da:	6.47
IP(EA), eV:	-9.01(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CC2=CC(=CC=C2)O

DOS

IR

Vibrations