Geometry & MOs

Info

ID:	201079
PubChem CID:	79486847
Reduced:	NSO2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	267.059696
ΔH_f, kcal/mol:	-80.65
Dipole, Da:	3.43
IP(EA), eV:	-9.02(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)N(C)C(C)CC1=CC=CS1

DOS

IR

Vibrations