Geometry & MOs

Info

ID:	298503
PubChem CID:	117650313
Reduced:	N2H42C57 (1)
Stoich.:	A2B42C57 (1)
Weight, g/mol:	387.174691
ΔH_f, kcal/mol:	231.73
Dipole, Da:	3.25
IP(EA), eV:	-7.55(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-N-(2-phenylpropan-2-yl)indazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C3C(=C1)C=CC4=C3C(=C5C=C4N(C6=CC=CC(=C6)C7(C8=CC(=CC=C8)N5C9=CC=CC=C9)C1=CC=CC=C1C1=CC=CC=C71)C1=CC=CC=C1)C=C2

DOS

IR

Vibrations