Geometry & MOs

Info

ID:	421544
PubChem CID:	135116186
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	265.226646
ΔH_f, kcal/mol:	-35.38
Dipole, Da:	4.28
IP(EA), eV:	-8.46(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-ethyl-6-N-[3-[ethyl(methyl)amino]butyl]-4-N-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C)C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations