Geometry & MOs

Info

ID:	312176
PubChem CID:	126603462
Reduced:	NO2C34H51 (1)
Stoich.:	AB2C34D51 (1)
Weight, g/mol:	308.203468
ΔH_f, kcal/mol:	-100.84
Dipole, Da:	3.47
IP(EA), eV:	-7.87(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-tert-butylpyrimidin-2-yl)-N-(1-methylsulfanylethyl)piperidin-4-amine

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)N2CCC(CC2)C(C)(C)CCC(C)(C)/C=C/C3=CC=C(C=C3)OC(C)(C)C

DOS

IR

Vibrations