Geometry & MOs

Info

ID:	305453
PubChem CID:	124807314
Reduced:	N2O3H20C23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	312.169859
ΔH_f, kcal/mol:	-48.78
Dipole, Da:	5.7
IP(EA), eV:	-9.04(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S)-N-methyl-7-pyrazin-2-yl-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=CC=CC=C3[C@@H](C1=O)NC(=O)[C@H](C4=CC=CC=C4)O

DOS

IR

Vibrations