Geometry & MOs

Info

ID:	137420
PubChem CID:	52205984
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	409.163771
ΔH_f, kcal/mol:	-40.16
Dipole, Da:	4.86
IP(EA), eV:	-7.95(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(2S)-butan-2-yl]-2,4-dioxoquinazolin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=CNC2=CC=CC3=C2CCCC3)C1=O

DOS

IR

Vibrations