Geometry & MOs

Info

ID:	375603
PubChem CID:	134214083
Reduced:	O2N5C24H25 (1)
Stoich.:	A2B5C24D25 (1)
Weight, g/mol:	413.196408
ΔH_f, kcal/mol:	48.4
Dipole, Da:	4.75
IP(EA), eV:	-8.89(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-[[6-(2-ethylpyrimidin-5-yl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C/C=C\C1=C(C=C(C=C1)C2=CC(=NC=N2)NC[C@@H](C)C3=C4C(=NC=C3)OCCO4)N=C

DOS

IR

Vibrations