Geometry & MOs

Info

ID:	419946
PubChem CID:	135110067
Reduced:	O4N5C24H35 (1)
Stoich.:	A4B5C24D35 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-163.26
Dipole, Da:	12.51
IP(EA), eV:	-9.49(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-(2-methylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CNCC(=O)N1)CC3=CC=CC=C3)C(C)C

DOS

IR

Vibrations