Geometry & MOs

Info

ID:	187735
PubChem CID:	77616577
Reduced:	FO2N6C18H23 (1)
Stoich.:	AB2C6D18E23 (1)
Weight, g/mol:	266.185509
ΔH_f, kcal/mol:	-42.7
Dipole, Da:	3.59
IP(EA), eV:	-9.02(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrazolidin-3-yl]amino]ethanol

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1C2=CC(=C(C=C2)N3CCC(CC3)NC)F)N4C=CN=N4

DOS

IR

Vibrations