Geometry & MOs

Info

ID:	344170
PubChem CID:	127267346
Reduced:	SN2O2C17H24 (1)
Stoich.:	AB2C2D17E24 (1)
Weight, g/mol:	335.232125
ΔH_f, kcal/mol:	-48.07
Dipole, Da:	4.39
IP(EA), eV:	-8.58(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(dimethylamino)-2-methylpentan-2-yl]-6-morpholin-4-ylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CCC2C(=O)N3CCCSCC3

DOS

IR

Vibrations