Geometry & MOs

Info

ID:	43051
PubChem CID:	10318195
Reduced:	ClO3N5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	390.110374
ΔH_f, kcal/mol:	-16.85
Dipole, Da:	5.21
IP(EA), eV:	-8.85(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=NN2C1=NN(C2=O)CCCNCC3COC4=CC=CC=C4O3)Cl

DOS

IR

Vibrations