Geometry & MOs

Info

ID:	317618
PubChem CID:	126644351
Reduced:	Cl2O2N5C22H23 (1)
Stoich.:	A2B2C5D22E23 (1)
Weight, g/mol:	459.12288
ΔH_f, kcal/mol:	-18.69
Dipole, Da:	4.38
IP(EA), eV:	-8.74(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[2-[(3,4-dichlorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(N=C2)N)C(=O)N[C@H]3CCC[C@@H]3OCC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations