Geometry & MOs

Info

ID:	153343
PubChem CID:	56312526
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-60.57
Dipole, Da:	2.82
IP(EA), eV:	-8.7(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3-phenylbutyl)acetamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)NCCC(C)C3=CC=CC=C3

DOS

IR

Vibrations