Geometry & MOs

Info

ID:	83267
PubChem CID:	49857373
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-82.09
Dipole, Da:	4.21
IP(EA), eV:	-8.7(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[4-[4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenyl]urea

Drug info:

PubChemData

Smile

CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(COCC3)C(=N2)N4CCOC[C@@H]4C

DOS

IR

Vibrations