Geometry & MOs

Info

ID:	83269
PubChem CID:	49857375
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	423.22704
ΔH_f, kcal/mol:	-61.95
Dipole, Da:	3.68
IP(EA), eV:	-8.67(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclobutyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]phenyl]urea

Drug info:

PubChemData

Smile

CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(COC3)C(=N2)N4CC5CCC(C4)O5

DOS

IR

Vibrations