Geometry & MOs

Info

ID:	223727
PubChem CID:	85335486
Reduced:	O2N3F6C25H29 (1)
Stoich.:	A2B3C6D25E29 (1)
Weight, g/mol:	521.275053
ΔH_f, kcal/mol:	-371.7
Dipole, Da:	5.6
IP(EA), eV:	-9.39(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OCC2(CC(C2)(CNC(=O)N(C)C)N)C3=CC=CC=C3

DOS

IR

Vibrations