Geometry & MOs

Info

ID:	317603
PubChem CID:	126644314
Reduced:	ClN3O4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	513.310376
ΔH_f, kcal/mol:	-50.59
Dipole, Da:	1.91
IP(EA), eV:	-9.21(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NOC)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl

DOS

IR

Vibrations