Geometry & MOs

Info

ID:	83266
PubChem CID:	49857372
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-80.44
Dipole, Da:	2.47
IP(EA), eV:	-8.62(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-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=NC(=C3CCCOC3=N2)N4CCOC[C@@H]4C

DOS

IR

Vibrations