Geometry & MOs

Info

ID:	139493
PubChem CID:	52542413
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-106.93
Dipole, Da:	2.02
IP(EA), eV:	-9.43(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCCOC

DOS

IR

Vibrations