Geometry & MOs

Info

ID:	210517
PubChem CID:	80818822
Reduced:	N5C12H23 (1)
Stoich.:	A5B12C23 (1)
Weight, g/mol:	240.133474
ΔH_f, kcal/mol:	10.07
Dipole, Da:	2.96
IP(EA), eV:	-8.58(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(dimethylamino)propyl]-5-nitropyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)C)NCC(C)N(C)C

DOS

IR

Vibrations