Geometry & MOs

Info

ID:	142437
PubChem CID:	53033853
Reduced:	BrON3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	403.169605
ΔH_f, kcal/mol:	38.89
Dipole, Da:	3.24
IP(EA), eV:	-9.14(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=NN2C(=O)NC3=CC(=CC=C3)Br

DOS

IR

Vibrations