Geometry & MOs

Info

ID:	83270
PubChem CID:	49857376
Reduced:	O3N5C23H29 (1)
Stoich.:	A3B5C23D29 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-72.25
Dipole, Da:	5.4
IP(EA), eV:	-8.73(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[4-[4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]phenyl]urea

Drug info:

PubChemData

Smile

C[C@H]1COCCN1C2=NC(=NC3=C2COCC3)C4=CC=C(C=C4)NC(=O)NC5CCC5

DOS

IR

Vibrations