Geometry & MOs

Info

ID:	415314
PubChem CID:	135088308
Reduced:	NOC5H7 (4)
Stoich.:	ABC5D7 (4)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-91.87
Dipole, Da:	1.37
IP(EA), eV:	-8.32(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCNC1=NOC(=C1C(=O)O)C2=CC=C(C=C2)OC)N3CCN(CC3)C

DOS

IR

Vibrations