Geometry & MOs

Info

ID:	144193
PubChem CID:	53329421
Reduced:	BrNOH6C8 (2)
Stoich.:	ABCD6E8 (2)
Weight, g/mol:	444.252526
ΔH_f, kcal/mol:	-19.54
Dipole, Da:	2.6
IP(EA), eV:	-9.15(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(2-ethylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/C(=O)NC2=C(C=C(C=C2)Br)C(=O)N)Br

DOS

IR

Vibrations