Geometry & MOs

Info

ID:	187281
PubChem CID:	77553936
Reduced:	ClNO3C27H32 (1)
Stoich.:	ABC3D27E32 (1)
Weight, g/mol:	527.306039
ΔH_f, kcal/mol:	-121.09
Dipole, Da:	5.54
IP(EA), eV:	-8.91(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-(piperidin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Cl)CCC(=O)NC2CC3(CCC3)OC4=CC=CC=C24)OC5CCCC5

DOS

IR

Vibrations