Geometry & MOs

Info

ID:	422662
PubChem CID:	135118208
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	-85.85
Dipole, Da:	4.45
IP(EA), eV:	-9.24(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)CCCC2=O)C(=O)N3CCCC4(C3)CCC5=CN=C(N=C45)C

DOS

IR

Vibrations