Geometry & MOs

Info

ID:	356119
PubChem CID:	127291155
Reduced:	FN3O3C18H26 (1)
Stoich.:	AB3C3D18E26 (1)
Weight, g/mol:	378.145868
ΔH_f, kcal/mol:	-156.98
Dipole, Da:	5.51
IP(EA), eV:	-8.88(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(oxan-3-yl)-1-propylurea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)CN2CCN(CC2)C(=O)NC3CCCOC3

DOS

IR

Vibrations