Geometry & MOs

Info

ID:	290287
PubChem CID:	104426416
Reduced:	OSN3C10H17 (1)
Stoich.:	ABC3D10E17 (1)
Weight, g/mol:	290.135446
ΔH_f, kcal/mol:	-33.28
Dipole, Da:	3.8
IP(EA), eV:	-8.89(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CCNC1=NC=CS1

DOS

IR

Vibrations