Geometry & MOs

Info

ID:	317617
PubChem CID:	126644350
Reduced:	O2N5C28H29 (1)
Stoich.:	A2B5C28D29 (1)
Weight, g/mol:	459.12288
ΔH_f, kcal/mol:	23.08
Dipole, Da:	3.31
IP(EA), eV:	-8.77(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(1S,2S)-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)NC3CCCC3OCC4=CC=CC=C4C5=CC=CC=C5

DOS

IR

Vibrations