Geometry & MOs

Info

ID:	323621
PubChem CID:	126675602
Reduced:	N7C14H19 (1)
Stoich.:	A7B14C19 (1)
Weight, g/mol:	607.363474
ΔH_f, kcal/mol:	82.3
Dipole, Da:	3.22
IP(EA), eV:	-7.98(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C/N(CC2=CC(=NC(=C2N)N)N)N)/N

DOS

IR

Vibrations