Geometry & MOs

Info

ID:	49755
PubChem CID:	11533731
Reduced:	O2F3N5H26C28 (1)
Stoich.:	A2B3C5D26E28 (1)
Weight, g/mol:	521.218681
ΔH_f, kcal/mol:	-137.2
Dipole, Da:	9.93
IP(EA), eV:	-8.8(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-imidazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@H]1COC2=CC(=CC(=C2)NC(=O)C3=C(N=CC=C3)NC4=CC=CC5=C4C=CN=C5)C(F)(F)F

DOS

IR

Vibrations