Geometry & MOs

Info

ID:	296597
PubChem CID:	117585602
Reduced:	N5C12H21 (1)
Stoich.:	A5B12C21 (1)
Weight, g/mol:	258.159295
ΔH_f, kcal/mol:	23.48
Dipole, Da:	3.6
IP(EA), eV:	-8.67(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-aminopyrrolidin-1-yl)-N-methyl-N-(1H-pyrrol-2-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCN(C)C1=NC=NC(=C1)N2CCC(C2)N

DOS

IR

Vibrations