Geometry & MOs

Info

ID:	43675
PubChem CID:	10321632
Reduced:	ON2C14H14 (2)
Stoich.:	AB2C14D14 (2)
Weight, g/mol:	452.226392
ΔH_f, kcal/mol:	-8.86
Dipole, Da:	5.2
IP(EA), eV:	-8.06(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,5R)-1-(4-fluorophenyl)-4a-methyl-5-(2-naphthalen-1-ylethyl)-4,6,7,8-tetrahydrobenzo[f]indazol-5-ol

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)NC2=CC3=C(C=C2)NC(=C3)C4=CC=C(C=C4)NC(=O)C5=CC=CC=N5

DOS

IR

Vibrations