Geometry & MOs

Info

ID:	79896
PubChem CID:	49831100
Reduced:	ClN2O2C9H20 (1)
Stoich.:	AB2C2D9E20 (1)
Weight, g/mol:	476.217203
ΔH_f, kcal/mol:	-118.62
Dipole, Da:	6.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769743
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]phenyl]-3-(4-methyl-1,3-oxazol-2-yl)urea

Drug info:

PubChemData

Smile

CCCN(CCCN(C)C)C(=O)[O-].Cl

DOS

IR

Vibrations