Geometry & MOs

Info

ID:	292019
PubChem CID:	114137379
Reduced:	ClOSN2C14H21 (1)
Stoich.:	ABCD2E14F21 (1)
Weight, g/mol:	281.075346
ΔH_f, kcal/mol:	-56.09
Dipole, Da:	2.32
IP(EA), eV:	-9.63(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CCC(C1)CCCNC(=O)CC2=NC(=CS2)CCl

DOS

IR

Vibrations