Geometry & MOs

Info

ID:	323481
PubChem CID:	126674946
Reduced:	ON3C17H23 (2)
Stoich.:	AB3C17D23 (2)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	11.9
Dipole, Da:	4.05
IP(EA), eV:	-8.27(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S)-2-[[4-(3-oxopropyl)phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC/C=C/C=C(\C=N)/C1=CC(=C(N=C1)N)C(=O)N=CC2CCCC2OCC3=CC=C(C=C3)CCCN4CCN(CC4)C

DOS

IR

Vibrations