Geometry & MOs

Info

ID:	313973
PubChem CID:	126619288
Reduced:	NOPC10H16 (1)
Stoich.:	ABCD10E16 (1)
Weight, g/mol:	655.280612
ΔH_f, kcal/mol:	-62.39
Dipole, Da:	6.65
IP(EA), eV:	-9.12(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyphenyl]-1,2-dimethyl-4-oxoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CNCC1=CC=C(C=C1)P(=O)(C)C

DOS

IR

Vibrations