Geometry & MOs

Info

ID:	417142
PubChem CID:	135091451
Reduced:	NO2C22H31 (1)
Stoich.:	AB2C22D31 (1)
Weight, g/mol:	366.228043
ΔH_f, kcal/mol:	-60.34
Dipole, Da:	4.39
IP(EA), eV:	-8.5(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(2-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CC(C)(C#CC1=CC=C(C=C1)CN2CCC[C@]3(C2)CCC[C@H]3OC)O

DOS

IR

Vibrations