Geometry & MOs

Info

ID:	445691
PubChem CID:	135268957
Reduced:	BrN4C21H35 (1)
Stoich.:	AB4C21D35 (1)
Weight, g/mol:	473.186318
ΔH_f, kcal/mol:	2.71
Dipole, Da:	3.26
IP(EA), eV:	-7.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-fluoro-2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyridin-3-ylacetamide

Drug info:

PubChemData

Smile

CC(C)CCN1C2=C(N=C1Br)N(C(=C)N(C2=C)CCCCC(C)(C)C)C

DOS

IR

Vibrations