Geometry & MOs

Info

ID:	175493
PubChem CID:	75910623
Reduced:	FN2O3H19C23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	417.237604
ΔH_f, kcal/mol:	-87.85
Dipole, Da:	4.93
IP(EA), eV:	-8.86(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2OC3=CC(=CC=C3)F

DOS

IR

Vibrations