Geometry & MOs

Info

ID:	322849
PubChem CID:	126671453
Reduced:	ClON2C24H31 (1)
Stoich.:	ABC2D24E31 (1)
Weight, g/mol:	593.347824
ΔH_f, kcal/mol:	-21.05
Dipole, Da:	1.47
IP(EA), eV:	-8.4(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=CC(=C(C=C2)C3=CC=C(C=C3)COC4CCCC4)Cl

DOS

IR

Vibrations