Geometry & MOs

Info

ID:	85233
PubChem CID:	49872645
Reduced:	FON7H20C24 (1)
Stoich.:	ABC7D20E24 (1)
Weight, g/mol:	496.213536
ΔH_f, kcal/mol:	43.83
Dipole, Da:	3.63
IP(EA), eV:	-9.48(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6-[[(1S)-1-[6-fluoro-3-phenyl-4-(piperazine-1-carbonyl)quinolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(C=C(C=C2)F)C(=C1C3=CC=CC=C3)C(=O)NC)NC4=NC=NC(=C4C#N)N

DOS

IR

Vibrations