Geometry & MOs

Info

ID:	210605
PubChem CID:	80829494
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	235.179696
ΔH_f, kcal/mol:	1.68
Dipole, Da:	2.16
IP(EA), eV:	-9.01(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,2-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CO)NC2=NC(=NC(=C2)N)N

DOS

IR

Vibrations