Geometry & MOs

Info

ID:	327445
PubChem CID:	126689921
Reduced:	ClFO2N5C27H31 (1)
Stoich.:	ABC2D5E27F31 (1)
Weight, g/mol:	497.199381
ΔH_f, kcal/mol:	-63.21
Dipole, Da:	10.45
IP(EA), eV:	-8.49(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-chloro-4-fluoroanilino)-7-(2-methyl-6-propylpiperidin-4-yl)oxyquinazolin-6-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCCC1COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)NC(=O)/C=C/CN(C)C

DOS

IR

Vibrations