Geometry & MOs

Info

ID:	233302
PubChem CID:	89649898
Reduced:	FN2O2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-67.32
Dipole, Da:	6.14
IP(EA), eV:	-9.96(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C2=NC=CC=N2)C(=O)O)F

DOS

IR

Vibrations