Geometry & MOs

Info

ID:	299952
PubChem CID:	118043406
Reduced:	O3C13H23 (2)
Stoich.:	A3B13C23 (2)
Weight, g/mol:	469.21139
ΔH_f, kcal/mol:	-277.17
Dipole, Da:	3.94
IP(EA), eV:	-8.74(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-methoxy-5-[2-[[(1R,2S)-2-(prop-2-ynoylamino)cyclopentyl]amino]quinazolin-6-yl]benzamide

Drug info:

PubChemData

Smile

CCCCCCOCCOCCOC1=CC(=CC=C1)OCCOCCOCCCCCC

DOS

IR

Vibrations