Geometry & MOs

Info

ID:	218194
PubChem CID:	85089015
Reduced:	P2O7C19H36 (1)
Stoich.:	A2B7C19D36 (1)
Weight, g/mol:	438.191898
ΔH_f, kcal/mol:	-467.43
Dipole, Da:	5.09
IP(EA), eV:	-9.09(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)-1-[1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]ethanol

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCCC(=CCOP(=O)(O)OP(=O)(O)O)C(C)(C)C)C)C

DOS

IR

Vibrations