Geometry & MOs

Info

ID:	231190
PubChem CID:	87572911
Reduced:	O3N4C10H10 (1)
Stoich.:	A3B4C10D10 (1)
Weight, g/mol:	553.306433
ΔH_f, kcal/mol:	-63.64
Dipole, Da:	3.0
IP(EA), eV:	-9.57(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-amine

Drug info:

PubChemData

Smile

C1=CN=C(N1)CC(=O)OC(=O)CC2=NC=CN2

DOS

IR

Vibrations