Geometry & MOs

Info

ID:	82287
PubChem CID:	49855851
Reduced:	O3N5C23H29 (1)
Stoich.:	A3B5C23D29 (1)
Weight, g/mol:	423.22704
ΔH_f, kcal/mol:	-58.43
Dipole, Da:	5.49
IP(EA), eV:	-8.75(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(CO[C@@]3(C)CC=C)C(=N2)N4CCOCC4

DOS

IR

Vibrations