Geometry & MOs

Info

ID:	210591
PubChem CID:	80828534
Reduced:	N4C6H9 (2)
Stoich.:	A4B6C9 (2)
Weight, g/mol:	226.098524
ΔH_f, kcal/mol:	91.88
Dipole, Da:	5.8
IP(EA), eV:	-9.26(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1(CCCN1C2=NC(=NC(=N2)N3C=NC=N3)NC)C

DOS

IR

Vibrations