Geometry & MOs

Info

ID:	161864
PubChem CID:	57392887
Reduced:	O4C15H18 (1)
Stoich.:	A4B15C18 (1)
Weight, g/mol:	379.161995
ΔH_f, kcal/mol:	-156.71
Dipole, Da:	8.64
IP(EA), eV:	-10.24(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylpiperazin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)CC1)C[C@H]2[C@H](OC(=O)C2=C)CC(=O)C

DOS

IR

Vibrations