Geometry & MOs

Info

ID:	445635
PubChem CID:	135268700
Reduced:	ClFPN2O6H17C20 (1)
Stoich.:	ABCD2E6F17G20 (1)
Weight, g/mol:	458.166666
ΔH_f, kcal/mol:	-284.64
Dipole, Da:	4.16
IP(EA), eV:	-9.52(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)OC2=C(C=CC(=C2)Cl)C(=O)NC3=CC(=O)N(C=C3)COP(O)O

DOS

IR

Vibrations