Geometry & MOs

Info

ID:	421512
PubChem CID:	135116149
Reduced:	SN2O2C16H24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	238.179361
ΔH_f, kcal/mol:	-79.41
Dipole, Da:	2.21
IP(EA), eV:	-9.14(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)NCC3=CC=CS3

DOS

IR

Vibrations