Geometry & MOs

Info

ID:	289436
PubChem CID:	104353726
Reduced:	ON7C13H19 (1)
Stoich.:	AB7C13D19 (1)
Weight, g/mol:	261.15896
ΔH_f, kcal/mol:	17.17
Dipole, Da:	4.32
IP(EA), eV:	-8.63(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-amino-2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(CC1)C2=NC(=NC3=C2C=NN3)NC

DOS

IR

Vibrations