Geometry & MOs

Info

ID:	83268
PubChem CID:	49857374
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-63.34
Dipole, Da:	3.37
IP(EA), eV:	-8.72(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-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(COC3)C(=N2)N4[C@@H]5CC[C@H]4COC5

DOS

IR

Vibrations