Geometry & MOs

Info

ID:	421559
PubChem CID:	135116206
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	305.173942
ΔH_f, kcal/mol:	-48.94
Dipole, Da:	4.71
IP(EA), eV:	-9.07(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-6-methylpyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)C(=O)C2=CC=CC(=C2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations