Geometry & MOs

Info

ID:	56124
PubChem CID:	17417162
Reduced:	ClN3O5H14C16 (1)
Stoich.:	AB3C5D14E16 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-79.76
Dipole, Da:	4.08
IP(EA), eV:	-10.14(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2,4-dimethylphenyl)propyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl

DOS

IR

Vibrations