Geometry & MOs

Info

ID:	85183
PubChem CID:	49872237
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	371.129472
ΔH_f, kcal/mol:	-52.57
Dipole, Da:	7.48
IP(EA), eV:	-8.64(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6-[(5-fluoro-3-pyridin-2-ylquinolin-2-yl)methylamino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1C2=C(C(=CC=C2)C(=O)N)C(=O)N1C3=CC=C(C=C3)CC4CCN(CC4)C

DOS

IR

Vibrations