Geometry & MOs

Info

ID:	426799
PubChem CID:	135153904
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	233.042297
ΔH_f, kcal/mol:	-83.7
Dipole, Da:	2.08
IP(EA), eV:	-8.01(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)pyrimidine-4-carbothioamide

Drug info:

PubChemData

Smile

COC(=O)C1CCC(CC1)NC2=CC=CC=C2N

DOS

IR

Vibrations