Geometry & MOs

Info

ID:	179104
PubChem CID:	76433891
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-39.1
Dipole, Da:	6.2
IP(EA), eV:	-9.51(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)CN(C)CC2CNNC2C(=O)O

DOS

IR

Vibrations