Geometry & MOs

Info

ID:	82286
PubChem CID:	49855849
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	423.22704
ΔH_f, kcal/mol:	-5.47
Dipole, Da:	3.64
IP(EA), eV:	-8.87(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[4-[(7S)-7-methyl-4-morpholin-4-yl-7-prop-2-enyl-5H-furo[3,4-d]pyrimidin-2-yl]phenyl]urea

Drug info:

PubChemData

Smile

C1CC2=C(N=C(N=C2OC1)C3=CN=C(N=C3)N)N4C[C@H]5CC[C@@H](C4)O5

DOS

IR

Vibrations