Geometry & MOs

Info

ID:	149961
PubChem CID:	53789644
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	289.078659
ΔH_f, kcal/mol:	8.0
Dipole, Da:	1.92
IP(EA), eV:	-8.77(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(nitromethyl)-4,5-dihydroimidazol-1-yl]methyl]-2-(trifluoromethyl)pyrimidine

Drug info:

PubChemData

Smile

CNOCC1(CCN(CC1)C)C2=CN=CC=C2

DOS

IR

Vibrations