Geometry & MOs

Info

ID:	317627
PubChem CID:	126644501
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	576.321275
ΔH_f, kcal/mol:	-36.76
Dipole, Da:	7.31
IP(EA), eV:	-9.69(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(1S,2S)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-pyridin-4-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](C1)OCC2=CC(=CC=C2)[N+](=O)[O-])N

DOS

IR

Vibrations