Geometry & MOs

Info

ID:	319020
PubChem CID:	126654163
Reduced:	O3N5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	607.363474
ΔH_f, kcal/mol:	-57.21
Dipole, Da:	2.75
IP(EA), eV:	-8.65(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(N=C2)N)C(=O)NC3COC[C@H]3O

DOS

IR

Vibrations