Geometry & MOs

Info

ID:	184407
PubChem CID:	77157089
Reduced:	N2O5C32H32 (1)
Stoich.:	A2B5C32D32 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-133.86
Dipole, Da:	5.42
IP(EA), eV:	-8.47(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-amino-4-(2,5-dimethyl-4-oxoquinazolin-3-yl)-5-oxopentanoate

Drug info:

PubChemData

Smile

CC(C1CCCCC1)NC(=O)C2=CC=CC=C2CN3C4=CC=CC=C4C5(C3=O)COC6=CC7=C(C=C56)OCO7

DOS

IR

Vibrations