Geometry & MOs

Info

ID:	297213
PubChem CID:	117613078
Reduced:	N4O5H32C34 (1)
Stoich.:	A4B5C32D34 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-30.07
Dipole, Da:	6.34
IP(EA), eV:	-9.26(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-methyl-1-(4-methylbenzoyl)indazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)N(N=C3)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)OC(C)(C)C

DOS

IR

Vibrations