Geometry & MOs

Info

ID:	448197
PubChem CID:	135289169
Reduced:	FON8C34H35 (1)
Stoich.:	ABC8D34E35 (1)
Weight, g/mol:	369.185255
ΔH_f, kcal/mol:	81.36
Dipole, Da:	4.79
IP(EA), eV:	-8.24(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-tert-butylphenoxy)ethyl]-5-fluoro-N-methylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)NCCN(C)C

DOS

IR

Vibrations