Geometry & MOs

Info

ID:	83140
PubChem CID:	49857198
Reduced:	ON3H11C12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	195.148396
ΔH_f, kcal/mol:	72.73
Dipole, Da:	6.52
IP(EA), eV:	-8.94(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=NN=C2C1=C(N=C3N2NC=C3C4=CC5=CC=CC=C5N=C4)C6CCC(CC6)C(=O)O

DOS

IR

Vibrations