Geometry & MOs

Info

ID:	156457
PubChem CID:	56370703
Reduced:	F3O3N4C22H25 (1)
Stoich.:	A3B3C4D22E25 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-248.56
Dipole, Da:	3.78
IP(EA), eV:	-7.97(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethylphenoxy)-N-methyl-N-[(4-methylquinazolin-2-yl)methyl]pentanamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=CN=C(C=C3)OCC(F)(F)F

DOS

IR

Vibrations