Geometry & MOs

Info

ID:	49314
PubChem CID:	11532795
Reduced:	ClO2N4H17C27 (1)
Stoich.:	AB2C4D17E27 (1)
Weight, g/mol:	465.202797
ΔH_f, kcal/mol:	81.28
Dipole, Da:	9.54
IP(EA), eV:	-8.96(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-4-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C(=C3C=C(N(N=C3C2=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C#N

DOS

IR

Vibrations