Geometry & MOs

Info

ID:	83419
PubChem CID:	49857570
Reduced:	O3N4H10C12 (1)
Stoich.:	A3B4C10D12 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	21.23
Dipole, Da:	10.8
IP(EA), eV:	-9.61(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[7,7-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=NC=CC=N2

DOS

IR

Vibrations