Geometry & MOs

Info

ID:	431744
PubChem CID:	135171848
Reduced:	O3N5H25C27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	470.231791
ΔH_f, kcal/mol:	21.97
Dipole, Da:	7.34
IP(EA), eV:	-9.01(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2C#CC4=CN=CN=C4)N(C=C3C(=O)C)CC(=O)OC(C)(C)C

DOS

IR

Vibrations