Geometry & MOs

Info

ID:	318960
PubChem CID:	126653938
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-34.26
Dipole, Da:	4.71
IP(EA), eV:	-8.92(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-acetyl-5-(2-ethylpyrimidin-5-yl)indazol-1-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)C3=CN4C(=CC(=N4)C(C)(C)C)N=C3)CC(=O)OC(C)(C)C

DOS

IR

Vibrations