Geometry & MOs

Info

ID:	83016
PubChem CID:	49857009
Reduced:	O2N5C13H21 (1)
Stoich.:	A2B5C13D21 (1)
Weight, g/mol:	179.117095
ΔH_f, kcal/mol:	-79.87
Dipole, Da:	3.63
IP(EA), eV:	-9.01(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC[C@H](C1)NC2=NC(=NC=C2)N

DOS

IR

Vibrations