Geometry & MOs

Info

ID:	425711
PubChem CID:	135127512
Reduced:	SC11H16 (1)
Stoich.:	AB11C16 (1)
Weight, g/mol:	554.250475
ΔH_f, kcal/mol:	-6.55
Dipole, Da:	2.4
IP(EA), eV:	-8.9(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-dihydroxypropyl)-5-[3-methyl-1-[4-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]indazol-1-yl]butyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)C(C)S

DOS

IR

Vibrations