Geometry & MOs

Info

ID:	314045
PubChem CID:	126620052
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	293.202465
ΔH_f, kcal/mol:	-51.53
Dipole, Da:	5.0
IP(EA), eV:	-8.37(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-[3-(3-methylbutan-2-yloxy)propylsulfonyl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCC1C(=O)N(C2=CN=C(C=C2N1C3CCCC3)NC4=C(C=C(C=N4)C=O)OC)C

DOS

IR

Vibrations