Geometry & MOs

Info

ID:	210410
PubChem CID:	80803138
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	221.164046
ΔH_f, kcal/mol:	3.17
Dipole, Da:	1.51
IP(EA), eV:	-8.22(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=CC=C1)NCCC2=CC=CO2

DOS

IR

Vibrations