Geometry & MOs

Info

ID:	350797
PubChem CID:	127279085
Reduced:	FO2N5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	385.227789
ΔH_f, kcal/mol:	-84.57
Dipole, Da:	3.84
IP(EA), eV:	-8.49(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)N2CCCC(C2)C(=O)NC3=NNC4=C3C=C(C=C4)F

DOS

IR

Vibrations