Geometry & MOs

Info

ID:	416329
PubChem CID:	135089342
Reduced:	NSO4C16H25 (1)
Stoich.:	ABC4D16E25 (1)
Weight, g/mol:	305.221561
ΔH_f, kcal/mol:	-163.72
Dipole, Da:	5.45
IP(EA), eV:	-8.68(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanamide

Drug info:

PubChemData

Smile

CCCCSCC1=C(OC(=C1)C(=O)N2CCOCC2CO)C

DOS

IR

Vibrations