Geometry & MOs

Info

ID:	287480
PubChem CID:	104243869
Reduced:	BrISN3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	287.145619
ΔH_f, kcal/mol:	75.09
Dipole, Da:	3.55
IP(EA), eV:	-9.0(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopentyl-N-ethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=C1I)C2CCCC2)C3=CC=C(S3)Br

DOS

IR

Vibrations