Geometry & MOs

Info

ID:	233887
PubChem CID:	92126168
Reduced:	OF3N4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	288.195011
ΔH_f, kcal/mol:	-180.08
Dipole, Da:	3.54
IP(EA), eV:	-9.06(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(CCCC2)C(=N1)N3CCC(CC3)NC(=O)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations