Geometry & MOs

Info

ID:	300356
PubChem CID:	121270455
Reduced:	ClO2N6H23C25 (1)
Stoich.:	AB2C6D23E25 (1)
Weight, g/mol:	426.237733
ΔH_f, kcal/mol:	50.03
Dipole, Da:	8.9
IP(EA), eV:	-9.21(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[[N-(2-deuteriopropan-2-yl)-4-(furan-2-yl)anilino]methyl]-1-methylpyrazol-3-yl]oxyhexanoic acid

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)Cl)C(=O)N1C3=CN=CC(=C3)C4C5(CNC5)CN4C(=O)C6=NC=CC=N6)C

DOS

IR

Vibrations