Geometry & MOs

Info

ID:	258090
PubChem CID:	103150828
Reduced:	OF3N3C14H22 (1)
Stoich.:	AB3C3D14E22 (1)
Weight, g/mol:	289.140197
ΔH_f, kcal/mol:	-196.69
Dipole, Da:	6.1
IP(EA), eV:	-9.66(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

Drug info:

PubChemData

Smile

CCC1=C(C(=NC(=N1)CCOCC(F)(F)F)CC)CCN

DOS

IR

Vibrations