Geometry & MOs

Info

ID:	139494
PubChem CID:	52542463
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-119.74
Dipole, Da:	1.87
IP(EA), eV:	-9.24(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate

Drug info:

PubChemData

Smile

COCCOC(=O)CCC1=NC2=CC=CC=C2C(=O)N1C3CC3

DOS

IR

Vibrations