Geometry & MOs

Info

ID:	297212
PubChem CID:	117613056
Reduced:	N2O5C25H26 (1)
Stoich.:	A2B5C25D26 (1)
Weight, g/mol:	576.23727
ΔH_f, kcal/mol:	-163.9
Dipole, Da:	7.09
IP(EA), eV:	-8.9(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indazol-1-yl]methyl]phenyl]benzoate

Drug info:

PubChemData

Smile

CCC1=C2CN3C(=CC4=C(C3=O)COCC4(CC)OC(=O)OC)C2=NC5=C1C=C(C=C5)C

DOS

IR

Vibrations