Geometry & MOs

Info

ID:	431675
PubChem CID:	135171771
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	471.215806
ΔH_f, kcal/mol:	-121.38
Dipole, Da:	3.93
IP(EA), eV:	-8.76(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-phenylmethoxyindol-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=C(C=C3C(=C2)C(=CN3CC(=O)OC(C)(C)C)C(=O)C)O

DOS

IR

Vibrations