Geometry & MOs

Info

ID:	83420
PubChem CID:	49857571
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	413.206304
ΔH_f, kcal/mol:	-86.73
Dipole, Da:	4.01
IP(EA), eV:	-8.68(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(COC3(C)C)C(=N2)N4CCOC[C@@H]4C

DOS

IR

Vibrations