Geometry & MOs

Info

ID:	206391
PubChem CID:	80243378
Reduced:	BrFNOSH11C13 (1)
Stoich.:	ABCDEF11G13 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-45.23
Dipole, Da:	3.35
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]ethanol

Drug info:

PubChemData

Smile

CC1=CSC=C1CNC(=O)C2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations